1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine

C15H26N2 — CID 114992039

IUPAC1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine
SMILESCC(CCN(C)C)NC(C)Cc1ccccc1
InChIInChI=1S/C15H26N2/c1-13(10-11-17(3)4)16-14(2)12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKeyULBVHVWWNQJRHQ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.55
Rot. Bonds7

About 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine (PubChem CID 114992039) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine
PubChem CID114992039
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine
SMILESCC(CCN(C)C)NC(C)Cc1ccccc1
InChIInChI=1S/C15H26N2/c1-13(10-11-17(3)4)16-14(2)12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3
InChIKeyULBVHVWWNQJRHQ-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
1-methyl-1-(2-phenylethyl)-2-[(2R)-1-phenylpropan-2-yl]hydrazine
CID 91204364
3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104864587
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
CID 79398614
3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963562
N-methyl-1-phenylpropan-2-amine
CID 118309477
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
methyl 2-benzyl-4-(dimethylamino)butanoate
CID 170551265

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine (CID 114992039) is 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine is CC(CCN(C)C)NC(C)Cc1ccccc1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine?
The InChIKey is ULBVHVWWNQJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(10-11-17(3)4)16-14(2)12-15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 114992039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).