N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine

C18H31N3 — CID 63274242

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(c1ccccc1)N(C)CC1CCN(C)C1
InChIInChI=1S/C18H31N3/c1-15(2)19-12-18(17-8-6-5-7-9-17)21(4)14-16-10-11-20(3)13-16/h5-9,15-16,18-19H,10-14H2,1-4H3
InChIKeyAIYVFLSGKGZNFP-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.61
Rot. Bonds7

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63274242) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID63274242
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCC(c1ccccc1)N(C)CC1CCN(C)C1
InChIInChI=1S/C18H31N3/c1-15(2)19-12-18(17-8-6-5-7-9-17)21(4)14-16-10-11-20(3)13-16/h5-9,15-16,18-19H,10-14H2,1-4H3
InChIKeyAIYVFLSGKGZNFP-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine with MolForge

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Related Compounds

N'-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 63274243
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
CID 63273656
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
N,N'-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 79313149
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
CID 65071440
2-N,3-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 55174036
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine (CID 63274242) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine is CC(C)NCC(c1ccccc1)N(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is AIYVFLSGKGZNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)19-12-18(17-8-6-5-7-9-17)21(4)14-16-10-11-20(3)13-16/h5-9,15-16,18-19H,10-14H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63274242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).