8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C16H30N2 — CID 62738438

IUPAC8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C1CCCCCC1
InChIInChI=1S/C16H30N2/c1-2-17-13-11-15-9-10-16(12-13)18(15)14-7-5-3-4-6-8-14/h13-17H,2-12H2,1H3
InChIKeyAEJJPGKZAOGMIA-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.31
Rot. Bonds3

About 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738438) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738438
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C1CCCCCC1
InChIInChI=1S/C16H30N2/c1-2-17-13-11-15-9-10-16(12-13)18(15)14-7-5-3-4-6-8-14/h13-17H,2-12H2,1H3
InChIKeyAEJJPGKZAOGMIA-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030
8-cyclooctyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106808
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
N-ethyl-8-(thiolan-3-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103064865
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
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
N-ethyl-8-(2-methoxycyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740193

Frequently Asked Questions

What is the IUPAC name of 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62738438) is 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2C1CCCCCC1.
What is the InChIKey of 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AEJJPGKZAOGMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-17-13-11-15-9-10-16(12-13)18(15)14-7-5-3-4-6-8-14/h13-17H,2-12H2,1H3.
What are the key properties of 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).