2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine

C17H28N2 — CID 55001720

IUPAC2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)C(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-13(2)12-19(16-9-10-16)17(11-18)14(3)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,18H2,1-3H3
InChIKeyHVZANLSAEBOPJW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds7

About 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine

2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine (PubChem CID 55001720) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine
PubChem CID55001720
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)C(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-13(2)12-19(16-9-10-16)17(11-18)14(3)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,18H2,1-3H3
InChIKeyHVZANLSAEBOPJW-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine
CID 61099083
2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
CID 60709858
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
CID 78974311
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106528739
3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
CID 78924050
N-cyclopropyl-N-(2-methoxyethyl)-1-phenylpropane-1,3-diamine
CID 62780206

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine (CID 55001720) is 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine is CC(C)CN(C1CC1)C(CN)C(C)c1ccccc1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine?
The InChIKey is HVZANLSAEBOPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)12-19(16-9-10-16)17(11-18)14(3)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,18H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine?
2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 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-(2-methylpropyl)-3-phenylbutane-1,2-diamine is sourced from PubChem (CID 55001720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).