2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine

C15H29NO — CID 103274237

IUPAC2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine
SMILESC=CCCCOC1(CCNCC(C)C)CCC1
InChIInChI=1S/C15H29NO/c1-4-5-6-12-17-15(8-7-9-15)10-11-16-13-14(2)3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyALQHMBHFFDJFEW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds10

About 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine

2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103274237) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103274237
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine
SMILESC=CCCCOC1(CCNCC(C)C)CCC1
InChIInChI=1S/C15H29NO/c1-4-5-6-12-17-15(8-7-9-15)10-11-16-13-14(2)3/h4,14,16H,1,5-13H2,2-3H3
InChIKeyALQHMBHFFDJFEW-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-But-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91487037
N-methyl-1-(3-pent-4-enoxycyclobutyl)methanamine
CID 65989854
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272931
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]propan-1-amine
CID 103272932
2-[1-[(E)-but-2-enoxy]cyclobutyl]-N-ethylethanamine
CID 103272933
2-methyl-N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272988
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272989
N-ethyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272990
2-methyl-N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
CID 103272991
N-[2-(1-prop-2-enoxycyclobutyl)ethyl]propan-2-amine
CID 103272993
N-methyl-2-(1-prop-2-enoxycyclobutyl)ethanamine
CID 103272994
N-[2-(1-but-3-enoxycyclobutyl)ethyl]-2-methylpropan-1-amine
CID 103272996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine (CID 103274237) is 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine is C=CCCCOC1(CCNCC(C)C)CCC1.
What is the InChIKey of 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is ALQHMBHFFDJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-5-6-12-17-15(8-7-9-15)10-11-16-13-14(2)3/h4,14,16H,1,5-13H2,2-3H3.
What are the key properties of 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103274237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).