2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol

C16H30N2O — CID 62712947

IUPAC2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol
SMILESCCNC1CC2CCCC(C1)N2C1CCCCC1O
InChIInChI=1S/C16H30N2O/c1-2-17-12-10-13-6-5-7-14(11-12)18(13)15-8-3-4-9-16(15)19/h12-17,19H,2-11H2,1H3
InChIKeyJBVRJNALTXSJPD-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.28
Rot. Bonds3

About 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol

2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol (PubChem CID 62712947) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol
PubChem CID62712947
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol
SMILESCCNC1CC2CCCC(C1)N2C1CCCCC1O
InChIInChI=1S/C16H30N2O/c1-2-17-12-10-13-6-5-7-14(11-12)18(13)15-8-3-4-9-16(15)19/h12-17,19H,2-11H2,1H3
InChIKeyJBVRJNALTXSJPD-UHFFFAOYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
N-ethyl-8-(2-methoxycyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740193
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713820
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712214
8-(2,3-dimethylcyclopentyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64922280
N-ethyl-9-(4-methylsulfanylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712731

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol?
The IUPAC name of 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol (CID 62712947) is 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol is CCNC1CC2CCCC(C1)N2C1CCCCC1O.
What is the InChIKey of 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol?
The InChIKey is JBVRJNALTXSJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-17-12-10-13-6-5-7-14(11-12)18(13)15-8-3-4-9-16(15)19/h12-17,19H,2-11H2,1H3.
What are the key properties of 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol?
2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol is sourced from PubChem (CID 62712947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).