(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C19H29N3O — CID 127047229

IUPAC(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)[C@@H]1Cc2cccc3c2n(c(=O)n3CCC)C1
InChIInChI=1S/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/m1/s1
InChIKeyFOWVILAPRCJMGP-MRXNPFEDSA-N
MW315.46 g/mol
LogP3.26
Rot. Bonds7

About (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 127047229) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID127047229
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)[C@@H]1Cc2cccc3c2n(c(=O)n3CCC)C1
InChIInChI=1S/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/m1/s1
InChIKeyFOWVILAPRCJMGP-MRXNPFEDSA-N
XLogP3.26
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 127047229) is (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CCCN(CCC)[C@@H]1Cc2cccc3c2n(c(=O)n3CCC)C1.
What is the InChIKey of (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is FOWVILAPRCJMGP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 315.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 127047229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).