N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine

C19H36N2 — CID 106604544

IUPACN-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(N(CC2CC2)CC2CCCN2)CC1
InChIInChI=1S/C19H36N2/c1-15(2)17-5-3-7-19(11-10-17)21(13-16-8-9-16)14-18-6-4-12-20-18/h15-20H,3-14H2,1-2H3
InChIKeyAYBZVKAXUSEFGM-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.06
Rot. Bonds6

About N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine

N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine (PubChem CID 106604544) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
PubChem CID106604544
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(N(CC2CC2)CC2CCCN2)CC1
InChIInChI=1S/C19H36N2/c1-15(2)17-5-3-7-19(11-10-17)21(13-16-8-9-16)14-18-6-4-12-20-18/h15-20H,3-14H2,1-2H3
InChIKeyAYBZVKAXUSEFGM-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449581
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449580
N-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-2-ylmethyl)ethane-1,2-diamine
CID 106631586
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-(3,3-diethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599695

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine (CID 106604544) is N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine is CC(C)C1CCCC(N(CC2CC2)CC2CCCN2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is AYBZVKAXUSEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-15(2)17-5-3-7-19(11-10-17)21(13-16-8-9-16)14-18-6-4-12-20-18/h15-20H,3-14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 106604544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).