1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

C17H29N3 — CID 63275539

IUPAC1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CCN(C)C2)cc1C
InChIInChI=1S/C17H29N3/c1-13-5-6-16(9-14(13)2)17(10-18)20(4)12-15-7-8-19(3)11-15/h5-6,9,15,17H,7-8,10-12,18H2,1-4H3
InChIKeyPWCSKODXNGKDOX-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.19
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine

1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (PubChem CID 63275539) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
PubChem CID63275539
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)CC2CCN(C)C2)cc1C
InChIInChI=1S/C17H29N3/c1-13-5-6-16(9-14(13)2)17(10-18)20(4)12-15-7-8-19(3)11-15/h5-6,9,15,17H,7-8,10-12,18H2,1-4H3
InChIKeyPWCSKODXNGKDOX-UHFFFAOYSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63275627
1-(4-bromo-3-fluorophenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 81437678
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63275722
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276066
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 63233410
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
1-(3,4-dimethylphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62546580
1-(furan-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63233414
1-(2,5-difluorophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63232937
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740
1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276195

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine (CID 63275539) is 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is Cc1ccc(C(CN)N(C)CC2CCN(C)C2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is PWCSKODXNGKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-5-6-16(9-14(13)2)17(10-18)20(4)12-15-7-8-19(3)11-15/h5-6,9,15,17H,7-8,10-12,18H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63275539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).