N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine

C16H30N2 — CID 120899766

IUPACN-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine
SMILESCC1(CN(CC2CC2)C2CCCCC2)CCNC1
InChIInChI=1S/C16H30N2/c1-16(9-10-17-12-16)13-18(11-14-7-8-14)15-5-3-2-4-6-15/h14-15,17H,2-13H2,1H3
InChIKeyZZQHRLAEBGBSAW-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine

N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine (PubChem CID 120899766) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine
PubChem CID120899766
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine
SMILESCC1(CN(CC2CC2)C2CCCCC2)CCNC1
InChIInChI=1S/C16H30N2/c1-16(9-10-17-12-16)13-18(11-14-7-8-14)15-5-3-2-4-6-15/h14-15,17H,2-13H2,1H3
InChIKeyZZQHRLAEBGBSAW-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63143005
N-(cyclopropylmethyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 64520378
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
CID 120901428
4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 120898331
N,3-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 120898335
2-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-ol;hydrochloride
CID 120902061
N-methyl-1-(1-methylpiperidin-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120898710
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
1-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 63143290
1-cyclopropyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142688
N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 120900591
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine (CID 120899766) is N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine is CC1(CN(CC2CC2)C2CCCCC2)CCNC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine?
The InChIKey is ZZQHRLAEBGBSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(9-10-17-12-16)13-18(11-14-7-8-14)15-5-3-2-4-6-15/h14-15,17H,2-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine?
N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine is sourced from PubChem (CID 120899766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).