9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

C17H32N2 — CID 55106081

IUPAC9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2C1CCCCCC1
InChIInChI=1S/C17H32N2/c1-2-18-14-12-16-10-7-11-17(13-14)19(16)15-8-5-3-4-6-9-15/h14-18H,2-13H2,1H3
InChIKeyLVLOUSPZFFOTQQ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.70
Rot. Bonds3

About 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine

9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55106081) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55106081
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2C1CCCCCC1
InChIInChI=1S/C17H32N2/c1-2-18-14-12-16-10-7-11-17(13-14)19(16)15-8-5-3-4-6-9-15/h14-18H,2-13H2,1H3
InChIKeyLVLOUSPZFFOTQQ-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol
CID 62712947
N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713820
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106808
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329578
N-ethyl-8-(2-methoxycyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740193

Frequently Asked Questions

What is the IUPAC name of 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 55106081) is 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2C1CCCCCC1.
What is the InChIKey of 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is LVLOUSPZFFOTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-18-14-12-16-10-7-11-17(13-14)19(16)15-8-5-3-4-6-9-15/h14-18H,2-13H2,1H3.
What are the key properties of 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 264.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55106081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).