3-propyl-1,11-diazabicyclo[9.3.1]pentadecane

C16H32N2 — CID 118221169

IUPAC3-propyl-1,11-diazabicyclo[9.3.1]pentadecane
SMILESCCCC1CCCCCCCN2CCCN(C1)C2
InChIInChI=1S/C16H32N2/c1-2-9-16-10-6-4-3-5-7-11-17-12-8-13-18(14-16)15-17/h16H,2-15H2,1H3
InChIKeyQPRIBXNFIGHKOF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.72
Rot. Bonds2

About 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane

3-propyl-1,11-diazabicyclo[9.3.1]pentadecane (PubChem CID 118221169) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane.

Molecular Properties

Compound Name3-propyl-1,11-diazabicyclo[9.3.1]pentadecane
PubChem CID118221169
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-propyl-1,11-diazabicyclo[9.3.1]pentadecane
SMILESCCCC1CCCCCCCN2CCCN(C1)C2
InChIInChI=1S/C16H32N2/c1-2-9-16-10-6-4-3-5-7-11-17-12-8-13-18(14-16)15-17/h16H,2-15H2,1H3
InChIKeyQPRIBXNFIGHKOF-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-Tri(2-ethylhexyl)hexahydro-1,3,5-triazine
CID 11467348
2-Heptan-3-yl-1,3-dimethyl-1,3-diazinane
CID 297261
10-(1,3-dimethyl-1,3-diazinan-2-yl)-N-hexyl-N-pentyldecan-1-amine
CID 15461877
(3S)-3-methyl-1,11-diazabicyclo[9.3.1]pentadecane
CID 101148684
1,4-Dioctylpiperidine
CID 9861477
3-[3,5-bis(2-ethylhexyl)-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine
CID 19758493
1,3-Bis(2-ethylhexyl)-5-methyl-1,3-diazinan-2-amine
CID 19802226
10-Methyl-1-piperidin-1-ylundecane-1,11-diamine
CID 20405356
1,3-Didecyl-1,3-diazinane
CID 20503496
1,3-Didodecyl-1,3-diazinane
CID 20570253
3-(2,4-Dimethylhexyl)-1,1,5-trimethylpiperidin-1-ium
CID 20725286
N'-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)-N,N,N'-trimethylmethanediamine
CID 20776250

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane?
The IUPAC name of 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane (CID 118221169) is 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane.
What is the SMILES notation for 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane?
The canonical SMILES for 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane is CCCC1CCCCCCCN2CCCN(C1)C2.
What is the InChIKey of 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane?
The InChIKey is QPRIBXNFIGHKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-9-16-10-6-4-3-5-7-11-17-12-8-13-18(14-16)15-17/h16H,2-15H2,1H3.
What are the key properties of 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane?
3-propyl-1,11-diazabicyclo[9.3.1]pentadecane has a molecular weight of 252.45 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,11-diazabicyclo[9.3.1]pentadecane is sourced from PubChem (CID 118221169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).