2-cyclopropyl-N-hept-6-enyloxolan-3-amine

C14H25NO — CID 107167060

IUPAC2-cyclopropyl-N-hept-6-enyloxolan-3-amine
SMILESC=CCCCCCNC1CCOC1C1CC1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-10-15-13-9-11-16-14(13)12-7-8-12/h2,12-15H,1,3-11H2
InChIKeyZRTXRXGASIYXOU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds8

About 2-cyclopropyl-N-hept-6-enyloxolan-3-amine

2-cyclopropyl-N-hept-6-enyloxolan-3-amine (PubChem CID 107167060) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-hept-6-enyloxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-hept-6-enyloxolan-3-amine
PubChem CID107167060
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-cyclopropyl-N-hept-6-enyloxolan-3-amine
SMILESC=CCCCCCNC1CCOC1C1CC1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-10-15-13-9-11-16-14(13)12-7-8-12/h2,12-15H,1,3-11H2
InChIKeyZRTXRXGASIYXOU-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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

N-hept-6-enyloxan-4-amine
CID 107006595
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
CID 107006523
4-[(2-cyclopropyloxolan-3-yl)amino]-2-methylbutan-2-ol
CID 103580800
2-cyclopropyl-N-hex-5-en-2-yloxolan-3-amine
CID 104583626
N-hept-6-enylcyclobutanamine
CID 107006782
[2-(hept-6-enylamino)cyclohexyl]methanol
CID 107167051
2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103580891
N-[2-[(2-cyclopropyloxolan-3-yl)amino]ethyl]acetamide
CID 103580659
N-hept-6-enyl-2,2-dimethyloxan-4-amine
CID 107007059
2-cyclopropyl-N-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103581014
N-(cyclobutylmethyl)-2-cyclopropyloxolan-3-amine
CID 103580992
3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
CID 64920630

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-hept-6-enyloxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-hept-6-enyloxolan-3-amine (CID 107167060) is 2-cyclopropyl-N-hept-6-enyloxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-hept-6-enyloxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-hept-6-enyloxolan-3-amine is C=CCCCCCNC1CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-N-hept-6-enyloxolan-3-amine?
The InChIKey is ZRTXRXGASIYXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-6-10-15-13-9-11-16-14(13)12-7-8-12/h2,12-15H,1,3-11H2.
What are the key properties of 2-cyclopropyl-N-hept-6-enyloxolan-3-amine?
2-cyclopropyl-N-hept-6-enyloxolan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-hept-6-enyloxolan-3-amine is sourced from PubChem (CID 107167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).