N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine

C18H35N3 — CID 79166371

IUPACN-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C18H35N3/c1-3-19-17-8-6-4-5-7-9-18(17)21-13-12-15-10-11-16(14-21)20(15)2/h15-19H,3-14H2,1-2H3
InChIKeyWPFHTLIBAYPWFE-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.86
Rot. Bonds3

About N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine

N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine (PubChem CID 79166371) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
PubChem CID79166371
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C18H35N3/c1-3-19-17-8-6-4-5-7-9-18(17)21-13-12-15-10-11-16(14-21)20(15)2/h15-19H,3-14H2,1-2H3
InChIKeyWPFHTLIBAYPWFE-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79174696
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79174695
N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
CID 79175318
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
N-ethyl-2-(3-propylpyrrolidin-1-yl)cycloheptan-1-amine
CID 113417305
N,N-diethyl-1-[2-(ethylamino)cyclohexyl]pyrrolidin-3-amine
CID 63169941
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine
CID 79174757
N-ethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-amine
CID 81199337
N-ethyl-2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79860748
N-ethyl-2-(4-methylazepan-1-yl)cycloheptan-1-amine
CID 63624079
N-ethyl-2-(4-propylpiperidin-1-yl)cycloheptan-1-amine
CID 63469846
N-ethyl-2-(4-propylpiperidin-1-yl)cyclooctan-1-amine
CID 63469847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine?
The IUPAC name of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine (CID 79166371) is N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine.
What is the SMILES notation for N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine?
The canonical SMILES for N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine is CCNC1CCCCCCC1N1CCC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine?
The InChIKey is WPFHTLIBAYPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-19-17-8-6-4-5-7-9-18(17)21-13-12-15-10-11-16(14-21)20(15)2/h15-19H,3-14H2,1-2H3.
What are the key properties of N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine?
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine is sourced from PubChem (CID 79166371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).