3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine

C10H17NO — CID 104871826

IUPAC3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine
SMILESC#CCC(C)NC1CC(OC)C1
InChIInChI=1S/C10H17NO/c1-4-5-8(2)11-9-6-10(7-9)12-3/h1,8-11H,5-7H2,2-3H3
InChIKeyNYDYAUMCASNLKQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.17
Rot. Bonds4

About 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine

3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine (PubChem CID 104871826) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine
PubChem CID104871826
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine
SMILESC#CCC(C)NC1CC(OC)C1
InChIInChI=1S/C10H17NO/c1-4-5-8(2)11-9-6-10(7-9)12-3/h1,8-11H,5-7H2,2-3H3
InChIKeyNYDYAUMCASNLKQ-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine
CID 104871600
3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 104584522
3-[(3-methoxycyclopentyl)amino]butanenitrile
CID 103080676
N-pent-4-yn-2-ylthian-4-amine
CID 115725201
4-(pent-4-yn-2-ylamino)cyclohexan-1-ol
CID 106595148
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
3-[(3-methoxycyclobutyl)amino]-4-methylpentan-1-ol
CID 104871769
N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine
CID 115763360
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500
1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine
CID 115725209
2-[(3-methoxycyclobutyl)amino]-N-pentan-2-ylpropanamide
CID 113429969
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine (CID 104871826) is 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine is C#CCC(C)NC1CC(OC)C1.
What is the InChIKey of 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine?
The InChIKey is NYDYAUMCASNLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-8(2)11-9-6-10(7-9)12-3/h1,8-11H,5-7H2,2-3H3.
What are the key properties of 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine?
3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine is sourced from PubChem (CID 104871826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).