N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine

C15H24N2 — CID 130758158

IUPACN'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(Cc1ccccc1)CC(N)C1CC1
InChIInChI=1S/C15H24N2/c1-12(2)17(11-15(16)14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyBWAOWDJRBUNYQN-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.63
Rot. Bonds6

About N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine

N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 130758158) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID130758158
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(Cc1ccccc1)CC(N)C1CC1
InChIInChI=1S/C15H24N2/c1-12(2)17(11-15(16)14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3
InChIKeyBWAOWDJRBUNYQN-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride
CID 120980321
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
CID 130522033
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 66222971
N,N-dibenzyl-1-cyclopropylethane-1,2-diamine
CID 43655032
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
2-[[benzyl(propan-2-yl)amino]methyl]cycloheptan-1-amine
CID 62616237
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
2-[[benzyl(propan-2-yl)amino]methyl]-4-methylcyclohexan-1-amine
CID 62615898
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
3-[[benzyl(propan-2-yl)amino]methyl]-1-methylpiperidin-4-amine
CID 82171540
N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
CID 54911022

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine (CID 130758158) is N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(Cc1ccccc1)CC(N)C1CC1.
What is the InChIKey of N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is BWAOWDJRBUNYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)17(11-15(16)14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,16H2,1-2H3.
What are the key properties of N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine?
N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 130758158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).