N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine

C17H26N2 — CID 64521866

IUPACN'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(CC1CC1)C1CC1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2/c1-13(17(18)15-5-3-2-4-6-15)11-19(16-9-10-16)12-14-7-8-14/h2-6,13-14,16-17H,7-12,18H2,1H3
InChIKeyWHPAODIBIHDCAJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.20
Rot. Bonds7

About N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine

N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine (PubChem CID 64521866) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
PubChem CID64521866
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(CC1CC1)C1CC1)C(N)c1ccccc1
InChIInChI=1S/C17H26N2/c1-13(17(18)15-5-3-2-4-6-15)11-19(16-9-10-16)12-14-7-8-14/h2-6,13-14,16-17H,7-12,18H2,1H3
InChIKeyWHPAODIBIHDCAJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 63954327
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
CID 156529425
N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
CID 61436717
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine (CID 64521866) is N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine is CC(CN(CC1CC1)C1CC1)C(N)c1ccccc1.
What is the InChIKey of N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is WHPAODIBIHDCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(17(18)15-5-3-2-4-6-15)11-19(16-9-10-16)12-14-7-8-14/h2-6,13-14,16-17H,7-12,18H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine?
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 258.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 64521866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).