N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine

C16H27N — CID 66612939

IUPACN,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
SMILESCCC(CN(C)CCC(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-15(16-9-7-6-8-10-16)13-17(4)12-11-14(2)3/h6-10,14-15H,5,11-13H2,1-4H3
InChIKeyCIKMDIOUFIUWFO-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.16
Rot. Bonds7

About N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine

N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine (PubChem CID 66612939) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
PubChem CID66612939
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
SMILESCCC(CN(C)CCC(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-15(16-9-7-6-8-10-16)13-17(4)12-11-14(2)3/h6-10,14-15H,5,11-13H2,1-4H3
InChIKeyCIKMDIOUFIUWFO-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
N-(2-ethoxyethyl)-N-methyl-2-phenylbutan-1-amine
CID 71031505
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
3-bromo-N-(2-ethoxyethyl)-N-methyl-2-phenylpropan-1-amine
CID 81062061
azane;pentan-3-ylbenzene
CID 19774895
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
2-N-methyl-2-N-(3-methylbutyl)-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63467773
5-phenylheptan-2-amine
CID 83936540
1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591
N,N,5-trimethyl-3-phenylhexan-1-amine;hydrochloride
CID 24838712

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine (CID 66612939) is N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine is CCC(CN(C)CCC(C)C)c1ccccc1.
What is the InChIKey of N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine?
The InChIKey is CIKMDIOUFIUWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-15(16-9-7-6-8-10-16)13-17(4)12-11-14(2)3/h6-10,14-15H,5,11-13H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine?
N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine is sourced from PubChem (CID 66612939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).