N-(5-methylhept-6-enyl)formamide

C9H17NO — CID 87378048

IUPACN-(5-methylhept-6-enyl)formamide
SMILESC=CC(C)CCCCNC=O
InChIInChI=1S/C9H17NO/c1-3-9(2)6-4-5-7-10-8-11/h3,8-9H,1,4-7H2,2H3,(H,10,11)
InChIKeyUVAKUHDWMMLRDT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds7

About N-(5-methylhept-6-enyl)formamide

N-(5-methylhept-6-enyl)formamide (PubChem CID 87378048) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(5-methylhept-6-enyl)formamide.

Molecular Properties

Compound NameN-(5-methylhept-6-enyl)formamide
PubChem CID87378048
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(5-methylhept-6-enyl)formamide
SMILESC=CC(C)CCCCNC=O
InChIInChI=1S/C9H17NO/c1-3-9(2)6-4-5-7-10-8-11/h3,8-9H,1,4-7H2,2H3,(H,10,11)
InChIKeyUVAKUHDWMMLRDT-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-formamidohexyl)formamide
CID 154679922
3,8-dimethylnon-1-ene
CID 54356105
N-[4-(methylamino)pentyl]formamide
CID 153396942
2,5-dimethylhept-6-enal
CID 88788284
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
N-(5-heptyltridecyl)formamide
CID 166649045
6-methyloct-7-enoate
CID 140706101
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
N-(4-butyldecyl)formamide
CID 166649158
N-[(5S)-5-ethyl-6-oxoheptyl]formamide
CID 159837872
ethane;N-pentylformamide
CID 145350301
N-[3-(methylamino)propyl]formamide
CID 54313593

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhept-6-enyl)formamide?
The IUPAC name of N-(5-methylhept-6-enyl)formamide (CID 87378048) is N-(5-methylhept-6-enyl)formamide.
What is the SMILES notation for N-(5-methylhept-6-enyl)formamide?
The canonical SMILES for N-(5-methylhept-6-enyl)formamide is C=CC(C)CCCCNC=O.
What is the InChIKey of N-(5-methylhept-6-enyl)formamide?
The InChIKey is UVAKUHDWMMLRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(2)6-4-5-7-10-8-11/h3,8-9H,1,4-7H2,2H3,(H,10,11).
What are the key properties of N-(5-methylhept-6-enyl)formamide?
N-(5-methylhept-6-enyl)formamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhept-6-enyl)formamide is sourced from PubChem (CID 87378048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).