2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine

C16H26N2 — CID 103781587

IUPAC2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
SMILESCCC(NCC(C)N(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-16(14-8-6-5-7-9-14)17-12-13(2)18(3)15-10-11-15/h5-9,13,15-17H,4,10-12H2,1-3H3
InChIKeyUWIBEVAMNHMCFN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds7

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

2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine (PubChem CID 103781587) 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-phenylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
PubChem CID103781587
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
SMILESCCC(NCC(C)N(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-16(14-8-6-5-7-9-14)17-12-13(2)18(3)15-10-11-15/h5-9,13,15-17H,4,10-12H2,1-3H3
InChIKeyUWIBEVAMNHMCFN-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropan-2-yl)propane-1,2-diamine
CID 114132419
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781583
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
CID 43203759

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine (CID 103781587) is 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine is CCC(NCC(C)N(C)C1CC1)c1ccccc1.
What is the InChIKey of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine?
The InChIKey is UWIBEVAMNHMCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(14-8-6-5-7-9-14)17-12-13(2)18(3)15-10-11-15/h5-9,13,15-17H,4,10-12H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine?
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 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-phenylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103781587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).