N-hex-5-ynyl-3-methoxycyclobutan-1-amine

C11H19NO — CID 104871898

IUPACN-hex-5-ynyl-3-methoxycyclobutan-1-amine
SMILESC#CCCCCNC1CC(OC)C1
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-12-10-8-11(9-10)13-2/h1,10-12H,4-9H2,2H3
InChIKeyMWWRKHQCBPPBOO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds6

About N-hex-5-ynyl-3-methoxycyclobutan-1-amine

N-hex-5-ynyl-3-methoxycyclobutan-1-amine (PubChem CID 104871898) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-hex-5-ynyl-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-hex-5-ynyl-3-methoxycyclobutan-1-amine
PubChem CID104871898
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-hex-5-ynyl-3-methoxycyclobutan-1-amine
SMILESC#CCCCCNC1CC(OC)C1
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-12-10-8-11(9-10)13-2/h1,10-12H,4-9H2,2H3
InChIKeyMWWRKHQCBPPBOO-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-pent-4-ynylcyclobutan-1-amine
CID 104871850
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
N-hex-5-ynyl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 106209695
4-(hept-6-ynylamino)cyclohexan-1-ol
CID 168832781
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
4-(hex-5-ynylamino)cyclohexan-1-ol
CID 106209793
N-hex-5-ynyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 113348886
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104870848
tert-butyl 3-(hex-5-ynylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103944156
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870840
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-3-methoxycyclobutan-1-amine?
The IUPAC name of N-hex-5-ynyl-3-methoxycyclobutan-1-amine (CID 104871898) is N-hex-5-ynyl-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-hex-5-ynyl-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-hex-5-ynyl-3-methoxycyclobutan-1-amine is C#CCCCCNC1CC(OC)C1.
What is the InChIKey of N-hex-5-ynyl-3-methoxycyclobutan-1-amine?
The InChIKey is MWWRKHQCBPPBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-6-7-12-10-8-11(9-10)13-2/h1,10-12H,4-9H2,2H3.
What are the key properties of N-hex-5-ynyl-3-methoxycyclobutan-1-amine?
N-hex-5-ynyl-3-methoxycyclobutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104871898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).