N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine

C17H27N — CID 71320673

IUPACN,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine
SMILESCC(C)C(C)(C)C(=CCN(C)C)c1ccccc1
InChIInChI=1S/C17H27N/c1-14(2)17(3,4)16(12-13-18(5)6)15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3
InChIKeyRZQFCLOVYZHRSF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.31
Rot. Bonds5

About N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine

N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine (PubChem CID 71320673) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine.

Molecular Properties

Compound NameN,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine
PubChem CID71320673
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine
SMILESCC(C)C(C)(C)C(=CCN(C)C)c1ccccc1
InChIInChI=1S/C17H27N/c1-14(2)17(3,4)16(12-13-18(5)6)15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3
InChIKeyRZQFCLOVYZHRSF-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6372024
N,N-dimethyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylprop-2-en-1-amine
CID 54183305
(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;(2R)-1-(dimethylamino)propan-2-ol
CID 68509755
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367

Frequently Asked Questions

What is the IUPAC name of N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine?
The IUPAC name of N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine (CID 71320673) is N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine.
What is the SMILES notation for N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine?
The canonical SMILES for N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine is CC(C)C(C)(C)C(=CCN(C)C)c1ccccc1.
What is the InChIKey of N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine?
The InChIKey is RZQFCLOVYZHRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)17(3,4)16(12-13-18(5)6)15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3.
What are the key properties of N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine?
N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine is sourced from PubChem (CID 71320673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).