N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H31N3 — CID 62713820

IUPACN-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2C1CCCN(C)C1
InChIInChI=1S/C16H31N3/c1-3-17-13-10-14-6-4-7-15(11-13)19(14)16-8-5-9-18(2)12-16/h13-17H,3-12H2,1-2H3
InChIKeyDCQIACZUZLKJQD-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds3

About N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713820) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713820
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2C1CCCN(C)C1
InChIInChI=1S/C16H31N3/c1-3-17-13-10-14-6-4-7-15(11-13)19(14)16-8-5-9-18(2)12-16/h13-17H,3-12H2,1-2H3
InChIKeyDCQIACZUZLKJQD-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
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
N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 83024701
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
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
2-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]cyclohexan-1-ol
CID 62712947
8-(1-ethylpiperidin-3-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738636
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713820) is N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2C1CCCN(C)C1.
What is the InChIKey of N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DCQIACZUZLKJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-17-13-10-14-6-4-7-15(11-13)19(14)16-8-5-9-18(2)12-16/h13-17H,3-12H2,1-2H3.
What are the key properties of N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).