3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine

C19H34N2 — CID 43829559

IUPAC3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
SMILESCCCCN(CCCC)C(CC)C(C)(N)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-8-15-21(16-9-6-2)18(7-3)19(4,20)17-13-11-10-12-14-17/h10-14,18H,5-9,15-16,20H2,1-4H3
InChIKeyMDZAMJPNGOQWOC-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.54
Rot. Bonds10

About 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine

3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine (PubChem CID 43829559) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
PubChem CID43829559
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
SMILESCCCCN(CCCC)C(CC)C(C)(N)c1ccccc1
InChIInChI=1S/C19H34N2/c1-5-8-15-21(16-9-6-2)18(7-3)19(4,20)17-13-11-10-12-14-17/h10-14,18H,5-9,15-16,20H2,1-4H3
InChIKeyMDZAMJPNGOQWOC-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine
CID 43829679
3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
CID 43829678
1-N,1-N-dibutyl-2-phenylpropane-1,2-diamine
CID 43829720
2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
CID 43830567
3-methyl-2-phenylhexan-2-amine
CID 107892285
2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830762
1-N,1-N-dibutyl-3-methyl-2-phenylbutane-1,2-diamine
CID 43829754
(2S)-2-phenylhexan-2-amine
CID 10889241
tert-butylbenzene;hexane
CID 175254424
1,1-diphenylpentan-1-amine
CID 10263654
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
1,1-diphenylhexan-1-amine
CID 20568221

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine?
The IUPAC name of 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine (CID 43829559) is 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine?
The canonical SMILES for 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine is CCCCN(CCCC)C(CC)C(C)(N)c1ccccc1.
What is the InChIKey of 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine?
The InChIKey is MDZAMJPNGOQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-8-15-21(16-9-6-2)18(7-3)19(4,20)17-13-11-10-12-14-17/h10-14,18H,5-9,15-16,20H2,1-4H3.
What are the key properties of 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine?
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine is sourced from PubChem (CID 43829559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).