(3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane

C14H28N2 — CID 101148684

IUPAC(3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane
SMILESC[C@H]1CCCCCCCN2CCCN(C1)C2
InChIInChI=1S/C14H28N2/c1-14-8-5-3-2-4-6-9-15-10-7-11-16(12-14)13-15/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyFMFVQPFAQOASFA-AWEZNQCLSA-N
MW224.39 g/mol
LogP2.94
Rot. Bonds

About (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane

(3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane (PubChem CID 101148684) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane.

Molecular Properties

Compound Name(3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane
PubChem CID101148684
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane
SMILESC[C@H]1CCCCCCCN2CCCN(C1)C2
InChIInChI=1S/C14H28N2/c1-14-8-5-3-2-4-6-9-15-10-7-11-16(12-14)13-15/h14H,2-13H2,1H3/t14-/m0/s1
InChIKeyFMFVQPFAQOASFA-AWEZNQCLSA-N
XLogP2.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane?
The IUPAC name of (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane (CID 101148684) is (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane.
What is the SMILES notation for (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane?
The canonical SMILES for (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane is C[C@H]1CCCCCCCN2CCCN(C1)C2.
What is the InChIKey of (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane?
The InChIKey is FMFVQPFAQOASFA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28N2/c1-14-8-5-3-2-4-6-9-15-10-7-11-16(12-14)13-15/h14H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane?
(3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane has a molecular weight of 224.39 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane is sourced from PubChem (CID 101148684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).