4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine

C17H33N3 — CID 63167536

IUPAC4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCN2CCC(N3CCCC3)C2)CC1
InChIInChI=1S/C17H33N3/c1-15-4-6-16(7-5-15)18-9-13-19-12-8-17(14-19)20-10-2-3-11-20/h15-18H,2-14H2,1H3
InChIKeyZAKXPJZBZANRRU-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds5

About 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine

4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 63167536) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID63167536
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCN2CCC(N3CCCC3)C2)CC1
InChIInChI=1S/C17H33N3/c1-15-4-6-16(7-5-15)18-9-13-19-12-8-17(14-19)20-10-2-3-11-20/h15-18H,2-14H2,1H3
InChIKeyZAKXPJZBZANRRU-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170174
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
4-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine;dihydrochloride
CID 154577414
N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanamine
CID 62574223
N-[2-(3-ethylpiperidin-1-yl)ethyl]-4-methylcyclohexan-1-amine
CID 55090197
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
CID 62574590
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
CID 79118522
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
4-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 63503899
3-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170964

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine (CID 63167536) is 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine is CC1CCC(NCCN2CCC(N3CCCC3)C2)CC1.
What is the InChIKey of 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ZAKXPJZBZANRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15-4-6-16(7-5-15)18-9-13-19-12-8-17(14-19)20-10-2-3-11-20/h15-18H,2-14H2,1H3.
What are the key properties of 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine?
4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 63167536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).