N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine

C20H33N — CID 167219083

IUPACN-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine
SMILESC=CN(C)C(Cc1ccccc1)CC(C)C(C)(CC)CC
InChIInChI=1S/C20H33N/c1-7-20(5,8-2)17(4)15-19(21(6)9-3)16-18-13-11-10-12-14-18/h9-14,17,19H,3,7-8,15-16H2,1-2,4-6H3
InChIKeyNTYCKXKWGHNWOJ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.53
Rot. Bonds9

About N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine

N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine (PubChem CID 167219083) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine.

Molecular Properties

Compound NameN-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine
PubChem CID167219083
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine
SMILESC=CN(C)C(Cc1ccccc1)CC(C)C(C)(CC)CC
InChIInChI=1S/C20H33N/c1-7-20(5,8-2)17(4)15-19(21(6)9-3)16-18-13-11-10-12-14-18/h9-14,17,19H,3,7-8,15-16H2,1-2,4-6H3
InChIKeyNTYCKXKWGHNWOJ-UHFFFAOYSA-N
XLogP5.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
(2R)-N-bromo-N-methyl-1-phenylpropan-2-amine
CID 87517815
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
(2-bromo-3,3-dimethylpentyl)benzene
CID 63529714
1-benzyl-1-(1-phenylbutan-2-yl)hydrazine
CID 174862396
(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol
CID 25018953
[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene
CID 11632573
N,N-diethyl-1-phenylpropan-2-amine
CID 521361

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine?
The IUPAC name of N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine (CID 167219083) is N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine.
What is the SMILES notation for N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine?
The canonical SMILES for N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine is C=CN(C)C(Cc1ccccc1)CC(C)C(C)(CC)CC.
What is the InChIKey of N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine?
The InChIKey is NTYCKXKWGHNWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-7-20(5,8-2)17(4)15-19(21(6)9-3)16-18-13-11-10-12-14-18/h9-14,17,19H,3,7-8,15-16H2,1-2,4-6H3.
What are the key properties of N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine?
N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-ethyl-N,4,5-trimethyl-1-phenylheptan-2-amine is sourced from PubChem (CID 167219083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).