2-cyclopropyl-N-pent-4-enyloxolan-3-amine

C12H21NO — CID 103580803

IUPAC2-cyclopropyl-N-pent-4-enyloxolan-3-amine
SMILESC=CCCCNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-8-13-11-7-9-14-12(11)10-5-6-10/h2,10-13H,1,3-9H2
InChIKeyKVQFXAMCTLHJEY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds6

About 2-cyclopropyl-N-pent-4-enyloxolan-3-amine

2-cyclopropyl-N-pent-4-enyloxolan-3-amine (PubChem CID 103580803) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-pent-4-enyloxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-pent-4-enyloxolan-3-amine
PubChem CID103580803
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclopropyl-N-pent-4-enyloxolan-3-amine
SMILESC=CCCCNC1CCOC1C1CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-8-13-11-7-9-14-12(11)10-5-6-10/h2,10-13H,1,3-9H2
InChIKeyKVQFXAMCTLHJEY-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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

(7S)-7-ethenyl-5-[(1R)-1-methoxyethyl]-4-azaspiro[2.4]heptane
CID 163655261
N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine
CID 79368081
2-cyclopropyl-N-(4-methylpentyl)oxolan-3-amine
CID 102672745
2-cyclopropyl-N-(3-methylbutyl)oxolan-3-amine
CID 103578739
2-cyclopropyl-N-prop-2-enyloxolan-3-amine
CID 103580651
2-cyclopropyl-N-heptyloxolan-3-amine
CID 103580652
N-butyl-2-cyclopropyloxolan-3-amine
CID 103580713
N-but-3-en-2-yl-2-cyclopropyloxolan-3-amine
CID 103580728
2-cyclopropyl-N-ethyloxolan-3-amine
CID 103580759
N-cyclohex-2-en-1-yl-2-cyclopropyloxolan-3-amine
CID 103580766
N-[(E)-but-2-enyl]-2-cyclopropyloxolan-3-amine
CID 103580770
N-[(E)-3-chloroprop-2-enyl]-2-cyclopropyloxolan-3-amine
CID 103580782

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-pent-4-enyloxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-pent-4-enyloxolan-3-amine (CID 103580803) is 2-cyclopropyl-N-pent-4-enyloxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-pent-4-enyloxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-pent-4-enyloxolan-3-amine is C=CCCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-pent-4-enyloxolan-3-amine?
The InChIKey is KVQFXAMCTLHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-8-13-11-7-9-14-12(11)10-5-6-10/h2,10-13H,1,3-9H2.
What are the key properties of 2-cyclopropyl-N-pent-4-enyloxolan-3-amine?
2-cyclopropyl-N-pent-4-enyloxolan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-pent-4-enyloxolan-3-amine is sourced from PubChem (CID 103580803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).