2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine

C17H28N2 — CID 63954327

IUPAC2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
SMILESCCN(CC1CC1)C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(12-14-10-11-14)17(13(2)3)16(18)15-8-6-5-7-9-15/h5-9,13-14,16-17H,4,10-12,18H2,1-3H3
InChIKeyYFBUYOSYDLGYFT-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.44
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine (PubChem CID 63954327) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
PubChem CID63954327
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
SMILESCCN(CC1CC1)C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(12-14-10-11-14)17(13(2)3)16(18)15-8-6-5-7-9-15/h5-9,13-14,16-17H,4,10-12,18H2,1-3H3
InChIKeyYFBUYOSYDLGYFT-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
N-(cyclopropylmethyl)-1-phenyl-N-propylpropane-1,3-diamine
CID 62780378
N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
CID 156529425
2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine
CID 63957194
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
1-N-(cyclobutylmethyl)-1-N-ethyl-1-(4-methylphenyl)propane-1,2-diamine
CID 107397353

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine (CID 63954327) is 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine is CCN(CC1CC1)C(C(C)C)C(N)c1ccccc1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
The InChIKey is YFBUYOSYDLGYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(12-14-10-11-14)17(13(2)3)16(18)15-8-6-5-7-9-15/h5-9,13-14,16-17H,4,10-12,18H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 63954327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).