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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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).