(1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane

C14H28N2 — CID 146613419

IUPAC(1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCN(C)[C@H](C1)CC2(C)C
InChIInChI=1S/C14H28N2/c1-11(2)16-9-12-6-7-15(5)13(10-16)8-14(12,3)4/h11-13H,6-10H2,1-5H3/t12?,13-/m0/s1
InChIKeyALSKIUNOMHCALY-ABLWVSNPSA-N
MW224.39 g/mol
LogP2.45
Rot. Bonds1

About (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane

(1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane (PubChem CID 146613419) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name(1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane
PubChem CID146613419
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCN(C)[C@H](C1)CC2(C)C
InChIInChI=1S/C14H28N2/c1-11(2)16-9-12-6-7-15(5)13(10-16)8-14(12,3)4/h11-13H,6-10H2,1-5H3/t12?,13-/m0/s1
InChIKeyALSKIUNOMHCALY-ABLWVSNPSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane?
The IUPAC name of (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane (CID 146613419) is (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane.
What is the SMILES notation for (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane?
The canonical SMILES for (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane is CC(C)N1CC2CCN(C)[C@H](C1)CC2(C)C.
What is the InChIKey of (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane?
The InChIKey is ALSKIUNOMHCALY-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)16-9-12-6-7-15(5)13(10-16)8-14(12,3)4/h11-13H,6-10H2,1-5H3/t12?,13-/m0/s1.
What are the key properties of (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane?
(1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane has a molecular weight of 224.39 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,10,10-trimethyl-7-propan-2-yl-2,7-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 146613419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).