N-methyl-5-methylidene-1-phenylheptan-1-amine

C15H23N — CID 66037848

IUPACN-methyl-5-methylidene-1-phenylheptan-1-amine
SMILESC=C(CC)CCCC(NC)c1ccccc1
InChIInChI=1S/C15H23N/c1-4-13(2)9-8-12-15(16-3)14-10-6-5-7-11-14/h5-7,10-11,15-16H,2,4,8-9,12H2,1,3H3
InChIKeyTXPXCSOIGFSEGM-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.08
Rot. Bonds7

About N-methyl-5-methylidene-1-phenylheptan-1-amine

N-methyl-5-methylidene-1-phenylheptan-1-amine (PubChem CID 66037848) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-methyl-5-methylidene-1-phenylheptan-1-amine.

Molecular Properties

Compound NameN-methyl-5-methylidene-1-phenylheptan-1-amine
PubChem CID66037848
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-methyl-5-methylidene-1-phenylheptan-1-amine
SMILESC=C(CC)CCCC(NC)c1ccccc1
InChIInChI=1S/C15H23N/c1-4-13(2)9-8-12-15(16-3)14-10-6-5-7-11-14/h5-7,10-11,15-16H,2,4,8-9,12H2,1,3H3
InChIKeyTXPXCSOIGFSEGM-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.08
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

(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
N-methyl-1-phenyl-4-propoxybutan-1-amine
CID 79570537
(3-methylidene-1-phenylpentyl)hydrazine
CID 105199375
4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
CID 116952947
2-fluoro-N-methyl-1-phenylethanamine
CID 83815397
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
3-(methylamino)-3-(4-phenylphenyl)propan-1-ol
CID 64813021
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 61491100
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 55094933
[(1S)-1-phenylpentyl]hydrazine
CID 124537681

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylidene-1-phenylheptan-1-amine?
The IUPAC name of N-methyl-5-methylidene-1-phenylheptan-1-amine (CID 66037848) is N-methyl-5-methylidene-1-phenylheptan-1-amine.
What is the SMILES notation for N-methyl-5-methylidene-1-phenylheptan-1-amine?
The canonical SMILES for N-methyl-5-methylidene-1-phenylheptan-1-amine is C=C(CC)CCCC(NC)c1ccccc1.
What is the InChIKey of N-methyl-5-methylidene-1-phenylheptan-1-amine?
The InChIKey is TXPXCSOIGFSEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-13(2)9-8-12-15(16-3)14-10-6-5-7-11-14/h5-7,10-11,15-16H,2,4,8-9,12H2,1,3H3.
What are the key properties of N-methyl-5-methylidene-1-phenylheptan-1-amine?
N-methyl-5-methylidene-1-phenylheptan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylidene-1-phenylheptan-1-amine is sourced from PubChem (CID 66037848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).