(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene

C16H25N3 — CID 21036491

IUPAC(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene
SMILESCC(C)N1CCN2C3=C(C=CCC31)[C@@H]1CNCC[C@@H]12
InChIInChI=1S/C16H25N3/c1-11(2)18-8-9-19-14-6-7-17-10-13(14)12-4-3-5-15(18)16(12)19/h3-4,11,13-15,17H,5-10H2,1-2H3/t13-,14-,15?/m0/s1
InChIKeyPHNWNTMQRQUXRN-ZYOSVBKOSA-N
MW259.40 g/mol
LogP1.59
Rot. Bonds1

About (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene

(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene (PubChem CID 21036491) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene.

Molecular Properties

Compound Name(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene
PubChem CID21036491
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene
SMILESCC(C)N1CCN2C3=C(C=CCC31)[C@@H]1CNCC[C@@H]12
InChIInChI=1S/C16H25N3/c1-11(2)18-8-9-19-14-6-7-17-10-13(14)12-4-3-5-15(18)16(12)19/h3-4,11,13-15,17H,5-10H2,1-2H3/t13-,14-,15?/m0/s1
InChIKeyPHNWNTMQRQUXRN-ZYOSVBKOSA-N
XLogP1.59
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Octahydropyrazino[1,2-a]quinoline
CID 129875799
(1R)-3,6-diethyl-8-methyl-3,6-diaza-10-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene bromide
CID 18597961
(1S)-6-ethyl-8-methyl-3-propan-2-yl-3,6-diaza-10-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene bromide
CID 18597967
(1S)-8-methyl-3-propan-2-yl-3,6-diaza-10-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene bromide
CID 18597969
(1R,2R)-6-ethyl-8-methyl-1-propan-2-yl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene;dihydrobromide
CID 22828629
(1R,2R)-6-ethyl-8-methyl-1-propan-2-yl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828630
(1S)-3,6-diethyl-8-methyl-3,6-diaza-10-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene;bromide;hydrochloride
CID 22828631
(1S,2R)-3-ethyl-8-methyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828637
(1S,2R)-8-methyl-3-propan-2-yl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828639
(1S,2R)-8-methyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828642
(1S)-3,6-diethyl-8-methyl-3,6-diaza-10-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene bromide
CID 22828645
(1S)-8-methyl-3,6-diaza-10-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene bromide
CID 22828646

Frequently Asked Questions

What is the IUPAC name of (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene?
The IUPAC name of (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene (CID 21036491) is (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene.
What is the SMILES notation for (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene?
The canonical SMILES for (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene is CC(C)N1CCN2C3=C(C=CCC31)[C@@H]1CNCC[C@@H]12.
What is the InChIKey of (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene?
The InChIKey is PHNWNTMQRQUXRN-ZYOSVBKOSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)18-8-9-19-14-6-7-17-10-13(14)12-4-3-5-15(18)16(12)19/h3-4,11,13-15,17H,5-10H2,1-2H3/t13-,14-,15?/m0/s1.
What are the key properties of (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene?
(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene has a molecular weight of 259.40 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16)-diene is sourced from PubChem (CID 21036491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).