1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine

C17H30N2 — CID 43829720

IUPAC1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
SMILESCCCCN(CCCC)CC(C)(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-4-6-13-19(14-7-5-2)15-17(3,18)16-11-9-8-10-12-16/h8-12H,4-7,13-15,18H2,1-3H3
InChIKeyMYDLCIGCGSRSOK-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.76
Rot. Bonds9

About 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine

1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine (PubChem CID 43829720) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
PubChem CID43829720
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
SMILESCCCCN(CCCC)CC(C)(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-4-6-13-19(14-7-5-2)15-17(3,18)16-11-9-8-10-12-16/h8-12H,4-7,13-15,18H2,1-3H3
InChIKeyMYDLCIGCGSRSOK-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-2-phenyl-1-N-propylpropane-1,2-diamine
CID 62487058
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-phenylpropane-1,2-diamine
CID 102994341
1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine
CID 43829754
(2S)-2-phenylhexan-2-amine
CID 10889241
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
2-phenyldecan-2-amine
CID 63408050
2-phenylicosan-2-amine;hydrochloride
CID 173065845
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
CID 43829559
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
tert-butylbenzene;hexane
CID 175254424
1,1-diphenylpentan-1-amine
CID 10263654
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine (CID 43829720) is 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine is CCCCN(CCCC)CC(C)(N)c1ccccc1.
What is the InChIKey of 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine?
The InChIKey is MYDLCIGCGSRSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-6-13-19(14-7-5-2)15-17(3,18)16-11-9-8-10-12-16/h8-12H,4-7,13-15,18H2,1-3H3.
What are the key properties of 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine?
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 43829720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).