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

C14H27NO — CID 103274238

IUPACN-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine
SMILESC=CCCCOC1(CCNCCC)CCC1
InChIInChI=1S/C14H27NO/c1-3-5-6-13-16-14(8-7-9-14)10-12-15-11-4-2/h3,15H,1,4-13H2,2H3
InChIKeyBKERQUIFQMLAOM-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds10

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

N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103274238) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103274238
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine
SMILESC=CCCCOC1(CCNCCC)CCC1
InChIInChI=1S/C14H27NO/c1-3-5-6-13-16-14(8-7-9-14)10-12-15-11-4-2/h3,15H,1,4-13H2,2H3
InChIKeyBKERQUIFQMLAOM-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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
3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine (CID 103274238) is N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine is C=CCCCOC1(CCNCCC)CCC1.
What is the InChIKey of N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is BKERQUIFQMLAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-5-6-13-16-14(8-7-9-14)10-12-15-11-4-2/h3,15H,1,4-13H2,2H3.
What are the key properties of N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine?
N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-pent-4-enoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103274238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).