N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine

C18H29N3 — CID 63274243

IUPACN'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CNC2CC2)c2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-20-11-10-15(13-20)14-21(2)18(12-19-17-8-9-17)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3
InChIKeyIDAWZLHRZCVANI-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.36
Rot. Bonds7

About N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine

N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 63274243) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
PubChem CID63274243
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CNC2CC2)c2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-20-11-10-15(13-20)14-21(2)18(12-19-17-8-9-17)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3
InChIKeyIDAWZLHRZCVANI-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
CID 65071440
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
CID 63273656
N'-cyclopropyl-N-methyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62433088
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 63964134
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
N,N'-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 79313149
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
N-[(2S)-2-hydrazinyl-2-phenylethyl]-1-methylpiperidin-4-amine
CID 126609529

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine (CID 63274243) is N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine is CN1CCC(CN(C)C(CNC2CC2)c2ccccc2)C1.
What is the InChIKey of N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is IDAWZLHRZCVANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-11-10-15(13-20)14-21(2)18(12-19-17-8-9-17)16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine?
N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 287.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63274243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).