2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine

C15H30N2 — CID 43181783

IUPAC2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCCCN1CCCC1
InChIInChI=1S/C15H30N2/c1-13-7-5-8-14(2)15(13)16-9-6-12-17-10-3-4-11-17/h13-16H,3-12H2,1-2H3
InChIKeyPKXWRQMRISXZGS-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds5

About 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine

2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine (PubChem CID 43181783) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
PubChem CID43181783
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCCCN1CCCC1
InChIInChI=1S/C15H30N2/c1-13-7-5-8-14(2)15(13)16-9-6-12-17-10-3-4-11-17/h13-16H,3-12H2,1-2H3
InChIKeyPKXWRQMRISXZGS-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 43181585
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64775564
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
CID 175787085
2-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 65046605
2-methoxy-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43768293
2-methyl-N-(3-piperidin-1-ylpropyl)thian-3-amine
CID 79956996
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
4,4-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
CID 65082868

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine (CID 43181783) is 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine is CC1CCCC(C)C1NCCCN1CCCC1.
What is the InChIKey of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
The InChIKey is PKXWRQMRISXZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13-7-5-8-14(2)15(13)16-9-6-12-17-10-3-4-11-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine?
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 43181783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).