5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine

C14H27NO — CID 105003797

IUPAC5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine
SMILESC=C(C)CC(CCC1CCCO1)NCCC
InChIInChI=1S/C14H27NO/c1-4-9-15-13(11-12(2)3)7-8-14-6-5-10-16-14/h13-15H,2,4-11H2,1,3H3
InChIKeyZKUPYBIAYGUOIX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds8

About 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine

5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine (PubChem CID 105003797) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine.

Molecular Properties

Compound Name5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine
PubChem CID105003797
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine
SMILESC=C(C)CC(CCC1CCCO1)NCCC
InChIInChI=1S/C14H27NO/c1-4-9-15-13(11-12(2)3)7-8-14-6-5-10-16-14/h13-15H,2,4-11H2,1,3H3
InChIKeyZKUPYBIAYGUOIX-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(1,5-Dimethyl-4-hexen-1-yl)[4-(tetrahydro-2-furanyl)butyl]amine trifluoroacetate
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N-ethyl-1-(oxolan-2-yl)pent-4-en-2-amine
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1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 61380681
1-(cyclopenten-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
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1-(cyclopenten-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine?
The IUPAC name of 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine (CID 105003797) is 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine.
What is the SMILES notation for 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine?
The canonical SMILES for 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine is C=C(C)CC(CCC1CCCO1)NCCC.
What is the InChIKey of 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine?
The InChIKey is ZKUPYBIAYGUOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-15-13(11-12(2)3)7-8-14-6-5-10-16-14/h13-15H,2,4-11H2,1,3H3.
What are the key properties of 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine?
5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine is sourced from PubChem (CID 105003797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).