1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine

C19H34N2 — CID 43829754

IUPAC1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine
SMILESCCCCN(CCCC)CC(N)(c1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-5-7-14-21(15-8-6-2)16-19(20,17(3)4)18-12-10-9-11-13-18/h9-13,17H,5-8,14-16,20H2,1-4H3
InChIKeyWDQXINZKYOBGRK-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.40
Rot. Bonds10

About 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine

1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine (PubChem CID 43829754) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine
PubChem CID43829754
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine
SMILESCCCCN(CCCC)CC(N)(c1ccccc1)C(C)C
InChIInChI=1S/C19H34N2/c1-5-7-14-21(15-8-6-2)16-19(20,17(3)4)18-12-10-9-11-13-18/h9-13,17H,5-8,14-16,20H2,1-4H3
InChIKeyWDQXINZKYOBGRK-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
(3R)-2-methyl-3-phenylheptan-3-amine
CID 53487426
2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
CID 43829559
(2S)-2-amino-3-(dihexylamino)-1,1-diphenylpropan-1-ol
CID 102174113
N,N-diethylpentan-1-amine;1-phenylethanamine
CID 175350280
(3S,4R)-3-methyl-4-phenylhept-1-en-4-amine
CID 101191309
1,1-diphenylpentan-1-amine
CID 10263654
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
1,1-diphenylhexan-1-amine
CID 20568221
N,N-dibutylbutan-1-amine;phenol
CID 172785095
2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
CID 55004777

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine (CID 43829754) is 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine is CCCCN(CCCC)CC(N)(c1ccccc1)C(C)C.
What is the InChIKey of 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine?
The InChIKey is WDQXINZKYOBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-7-14-21(15-8-6-2)16-19(20,17(3)4)18-12-10-9-11-13-18/h9-13,17H,5-8,14-16,20H2,1-4H3.
What are the key properties of 1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine?
1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.40, 10 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-3-methyl-2-phenylbutane-1,2-diamine is sourced from PubChem (CID 43829754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).