N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine

C14H22N2 — CID 43575852

IUPACN'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
SMILESCC(CN)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H22N2/c1-12(9-15)10-16(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyNHLMIXONDSVTIG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.25
Rot. Bonds6

About N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine

N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine (PubChem CID 43575852) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
PubChem CID43575852
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine
SMILESCC(CN)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H22N2/c1-12(9-15)10-16(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKeyNHLMIXONDSVTIG-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70822586
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
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CID 131050094
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
CID 60914508
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 60733586
N-benzyl-N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 59151326
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
CID 107113137

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine (CID 43575852) is N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine is CC(CN)CN(Cc1ccccc1)C1CC1.
What is the InChIKey of N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine?
The InChIKey is NHLMIXONDSVTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(9-15)10-16(14-7-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3.
What are the key properties of N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine?
N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-cyclopropyl-2-methylpropane-1,3-diamine is sourced from PubChem (CID 43575852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).