N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine

C19H33N — CID 115846349

IUPACN-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
SMILESCCNC(CC(C)CC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H33N/c1-6-15(4)14-18(20-8-3)19(16(5)7-2)17-12-10-9-11-13-17/h9-13,15-16,18-20H,6-8,14H2,1-5H3
InChIKeyXRLBCAMYSVZYND-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.23
Rot. Bonds9

About N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine

N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine (PubChem CID 115846349) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine.

Molecular Properties

Compound NameN-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
PubChem CID115846349
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
SMILESCCNC(CC(C)CC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H33N/c1-6-15(4)14-18(20-8-3)19(16(5)7-2)17-12-10-9-11-13-17/h9-13,15-16,18-20H,6-8,14H2,1-5H3
InChIKeyXRLBCAMYSVZYND-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
CID 115854389
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine
CID 104987637
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606
N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine
CID 104995781
N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 43493378
N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
CID 43490571
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791
7-methyl-6-phenyl-N-propylnon-1-en-5-amine
CID 104987564
N-benzhydrylethanamine;ethane
CID 142974710
(2S)-N-ethyl-4,4-diphenylbutan-2-amine
CID 92981582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine?
The IUPAC name of N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine (CID 115846349) is N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine.
What is the SMILES notation for N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine?
The canonical SMILES for N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine is CCNC(CC(C)CC)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine?
The InChIKey is XRLBCAMYSVZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-15(4)14-18(20-8-3)19(16(5)7-2)17-12-10-9-11-13-17/h9-13,15-16,18-20H,6-8,14H2,1-5H3.
What are the key properties of N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine?
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine has a molecular weight of 275.48 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine is sourced from PubChem (CID 115846349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).