3-methoxy-N-pent-4-ynylcyclobutan-1-amine

C10H17NO — CID 104871850

IUPAC3-methoxy-N-pent-4-ynylcyclobutan-1-amine
SMILESC#CCCCNC1CC(OC)C1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-11-9-7-10(8-9)12-2/h1,9-11H,4-8H2,2H3
InChIKeyCJESYHSBNDJYPZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.17
Rot. Bonds5

About 3-methoxy-N-pent-4-ynylcyclobutan-1-amine

3-methoxy-N-pent-4-ynylcyclobutan-1-amine (PubChem CID 104871850) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methoxy-N-pent-4-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-pent-4-ynylcyclobutan-1-amine
PubChem CID104871850
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methoxy-N-pent-4-ynylcyclobutan-1-amine
SMILESC#CCCCNC1CC(OC)C1
InChIInChI=1S/C10H17NO/c1-3-4-5-6-11-9-7-10(8-9)12-2/h1,9-11H,4-8H2,2H3
InChIKeyCJESYHSBNDJYPZ-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(3-fluoropropyl)cyclobutan-1-amine
CID 103917820
N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine
CID 104871909
3-ethoxy-N-(2-fluoroethyl)cyclobutan-1-amine
CID 105841914
N-(1-fluoropropan-2-yl)-3-methoxycyclobutan-1-amine
CID 131224112
3-butoxy-N-ethylcyclobutan-1-amine
CID 66356657
3-butoxy-N-methylcyclobutan-1-amine
CID 66356853
3-pentoxy-N-propylcyclobutan-1-amine
CID 66357060
3-[(2-methylpropan-2-yl)oxy]-N-propylcyclobutan-1-amine
CID 66357625
3-methoxy-N-propylcyclobutan-1-amine
CID 66357767
N-ethyl-3-methoxycyclobutan-1-amine
CID 66358582
N-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 66358640
3-isopropoxy-N-methyl-cyclobutanamine
CID 66358802

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-pent-4-ynylcyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-pent-4-ynylcyclobutan-1-amine (CID 104871850) is 3-methoxy-N-pent-4-ynylcyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-pent-4-ynylcyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-pent-4-ynylcyclobutan-1-amine is C#CCCCNC1CC(OC)C1.
What is the InChIKey of 3-methoxy-N-pent-4-ynylcyclobutan-1-amine?
The InChIKey is CJESYHSBNDJYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-11-9-7-10(8-9)12-2/h1,9-11H,4-8H2,2H3.
What are the key properties of 3-methoxy-N-pent-4-ynylcyclobutan-1-amine?
3-methoxy-N-pent-4-ynylcyclobutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.17, 5 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-ynylcyclobutan-1-amine is sourced from PubChem (CID 104871850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).