N-hept-6-enylcyclobutanamine

C11H21N — CID 107006782

IUPACN-hept-6-enylcyclobutanamine
SMILESC=CCCCCCNC1CCC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-10-12-11-8-7-9-11/h2,11-12H,1,3-10H2
InChIKeyWTUHLROFWCUGCO-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds7

About N-hept-6-enylcyclobutanamine

N-hept-6-enylcyclobutanamine (PubChem CID 107006782) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-hept-6-enylcyclobutanamine.

Molecular Properties

Compound NameN-hept-6-enylcyclobutanamine
PubChem CID107006782
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-hept-6-enylcyclobutanamine
SMILESC=CCCCCCNC1CCC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-10-12-11-8-7-9-11/h2,11-12H,1,3-10H2
InChIKeyWTUHLROFWCUGCO-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hept-6-enyloxan-4-amine
CID 107006595
4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
CID 107007791
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-hept-6-enyl-2,2-dimethyloxan-4-amine
CID 107007059
[2-(hept-6-enylamino)cyclohexyl]methanol
CID 107167051
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820
N-(2-but-3-enoxyethyl)cyclododecanamine
CID 106397131
2-cyclopropyl-N-hept-6-enyloxolan-3-amine
CID 107167060
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
N-dodecylcyclohexanamine
CID 3679395
4-(cyclohexylamino)butanal
CID 140677611

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enylcyclobutanamine?
The IUPAC name of N-hept-6-enylcyclobutanamine (CID 107006782) is N-hept-6-enylcyclobutanamine.
What is the SMILES notation for N-hept-6-enylcyclobutanamine?
The canonical SMILES for N-hept-6-enylcyclobutanamine is C=CCCCCCNC1CCC1.
What is the InChIKey of N-hept-6-enylcyclobutanamine?
The InChIKey is WTUHLROFWCUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-6-10-12-11-8-7-9-11/h2,11-12H,1,3-10H2.
What are the key properties of N-hept-6-enylcyclobutanamine?
N-hept-6-enylcyclobutanamine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enylcyclobutanamine is sourced from PubChem (CID 107006782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).