[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine

C18H33N3 — CID 79166206

IUPAC[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
SMILESCN1C2CCC1CN(C1(CN)CCCC(C3CC3)C1)CC2
InChIInChI=1S/C18H33N3/c1-20-16-6-7-17(20)12-21(10-8-16)18(13-19)9-2-3-15(11-18)14-4-5-14/h14-17H,2-13,19H2,1H3
InChIKeyNBJGOFAVEBGDBV-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.45
Rot. Bonds3

About [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine

[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine (PubChem CID 79166206) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
PubChem CID79166206
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
SMILESCN1C2CCC1CN(C1(CN)CCCC(C3CC3)C1)CC2
InChIInChI=1S/C18H33N3/c1-20-16-6-7-17(20)12-21(10-8-16)18(13-19)9-2-3-15(11-18)14-4-5-14/h14-17H,2-13,19H2,1H3
InChIKeyNBJGOFAVEBGDBV-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79188405
[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103563040
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 43620231
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214
[3-cyclopropyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 64625427
[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79175489
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[1-(8-azaspiro[4.5]decan-8-yl)-3-cyclopropylcyclohexyl]methanamine
CID 64625031
[1-(3-morpholin-4-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 79521433
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371
[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
CID 106663212

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine?
The IUPAC name of [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine (CID 79166206) is [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine is CN1C2CCC1CN(C1(CN)CCCC(C3CC3)C1)CC2.
What is the InChIKey of [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine?
The InChIKey is NBJGOFAVEBGDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-20-16-6-7-17(20)12-21(10-8-16)18(13-19)9-2-3-15(11-18)14-4-5-14/h14-17H,2-13,19H2,1H3.
What are the key properties of [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine?
[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine has a molecular weight of 291.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79166206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).