1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine

C14H23N3 — CID 106703507

IUPAC1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
SMILESCNc1ccccc1CNC(C)CNC1CC1
InChIInChI=1S/C14H23N3/c1-11(9-17-13-7-8-13)16-10-12-5-3-4-6-14(12)15-2/h3-6,11,13,15-17H,7-10H2,1-2H3
InChIKeyNKSFCDMJSPPZJV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.96
Rot. Bonds7

About 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine

1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine (PubChem CID 106703507) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
PubChem CID106703507
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
SMILESCNc1ccccc1CNC(C)CNC1CC1
InChIInChI=1S/C14H23N3/c1-11(9-17-13-7-8-13)16-10-12-5-3-4-6-14(12)15-2/h3-6,11,13,15-17H,7-10H2,1-2H3
InChIKeyNKSFCDMJSPPZJV-UHFFFAOYSA-N
XLogP1.96
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
2-N-[(3-bromo-2-fluorophenyl)methyl]-1-N-cyclopropylpropane-1,2-diamine
CID 114019822
1-N-ethyl-1-N-methyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703560
1-N-cyclopropyl-2-N-[(4-fluoro-2-methylphenyl)methyl]propane-1,2-diamine
CID 113407488
1-N-cyclopropyl-2-N-(2-phenylbutyl)propane-1,2-diamine
CID 113407445
N-methyl-2-(methylaminomethyl)aniline
CID 576504
2-[(cyclopropylmethylamino)methyl]-N-methylaniline
CID 106703472
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline
CID 138052411
1-N-cyclopropyl-2-N-[(1-methylimidazol-4-yl)methyl]propane-1,2-diamine
CID 107972022

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine (CID 106703507) is 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine is CNc1ccccc1CNC(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
The InChIKey is NKSFCDMJSPPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(9-17-13-7-8-13)16-10-12-5-3-4-6-14(12)15-2/h3-6,11,13,15-17H,7-10H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine?
1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 106703507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).