2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine

C16H26N2 — CID 114132419

IUPAC2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine
SMILESCC(Cc1ccccc1)NCC(C)N(C)C1CC1
InChIInChI=1S/C16H26N2/c1-13(11-15-7-5-4-6-8-15)17-12-14(2)18(3)16-9-10-16/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyOWXWFRPPYHWYEU-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds7

About 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine

2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine (PubChem CID 114132419) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine
PubChem CID114132419
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine
SMILESCC(Cc1ccccc1)NCC(C)N(C)C1CC1
InChIInChI=1S/C16H26N2/c1-13(11-15-7-5-4-6-8-15)17-12-14(2)18(3)16-9-10-16/h4-8,13-14,16-17H,9-12H2,1-3H3
InChIKeyOWXWFRPPYHWYEU-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
CID 103781637
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
CID 103781587
1-[2-[cyclopropyl(methyl)amino]propyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111104301
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol
CID 103648398
2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781583
(1-phenylpropan-2-ylamino)methanol
CID 54463712
2-N-cyclopropyl-1-N,2-N-dimethylpropane-1,2-diamine
CID 62419681

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine (CID 114132419) is 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine is CC(Cc1ccccc1)NCC(C)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine?
The InChIKey is OWXWFRPPYHWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(11-15-7-5-4-6-8-15)17-12-14(2)18(3)16-9-10-16/h4-8,13-14,16-17H,9-12H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 114132419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).