N-ethyl-7-methyl-6-phenylnon-1-en-5-amine

C18H29N — CID 104987637

IUPACN-ethyl-7-methyl-6-phenylnon-1-en-5-amine
SMILESC=CCCC(NCC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H29N/c1-5-8-14-17(19-7-3)18(15(4)6-2)16-12-10-9-11-13-16/h5,9-13,15,17-19H,1,6-8,14H2,2-4H3
InChIKeyYMQQLYXKEZFBRL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.76
Rot. Bonds9

About N-ethyl-7-methyl-6-phenylnon-1-en-5-amine

N-ethyl-7-methyl-6-phenylnon-1-en-5-amine (PubChem CID 104987637) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-ethyl-7-methyl-6-phenylnon-1-en-5-amine.

Molecular Properties

Compound NameN-ethyl-7-methyl-6-phenylnon-1-en-5-amine
PubChem CID104987637
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-ethyl-7-methyl-6-phenylnon-1-en-5-amine
SMILESC=CCCC(NCC)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H29N/c1-5-8-14-17(19-7-3)18(15(4)6-2)16-12-10-9-11-13-16/h5,9-13,15,17-19H,1,6-8,14H2,2-4H3
InChIKeyYMQQLYXKEZFBRL-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-methyl-6-phenyl-N-propylnon-1-en-5-amine
CID 104987564
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
CID 115846349
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
CID 115854389
3-phenyloct-7-en-4-ylhydrazine
CID 105311600
N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
CID 107009776
N-ethyl-1,1-diphenylpent-4-en-2-amine
CID 61380727
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
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-6-phenylnon-1-en-5-amine?
The IUPAC name of N-ethyl-7-methyl-6-phenylnon-1-en-5-amine (CID 104987637) is N-ethyl-7-methyl-6-phenylnon-1-en-5-amine.
What is the SMILES notation for N-ethyl-7-methyl-6-phenylnon-1-en-5-amine?
The canonical SMILES for N-ethyl-7-methyl-6-phenylnon-1-en-5-amine is C=CCCC(NCC)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-ethyl-7-methyl-6-phenylnon-1-en-5-amine?
The InChIKey is YMQQLYXKEZFBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-8-14-17(19-7-3)18(15(4)6-2)16-12-10-9-11-13-16/h5,9-13,15,17-19H,1,6-8,14H2,2-4H3.
What are the key properties of N-ethyl-7-methyl-6-phenylnon-1-en-5-amine?
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine has a molecular weight of 259.44 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-6-phenylnon-1-en-5-amine is sourced from PubChem (CID 104987637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).