4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine

C14H27NO — CID 79599390

IUPAC4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(=CCCNC(C)C)CC1CCOCC1
InChIInChI=1S/C14H27NO/c1-12(2)15-8-4-5-13(3)11-14-6-9-16-10-7-14/h5,12,14-15H,4,6-11H2,1-3H3
InChIKeyPNUTUAMATNIDCV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds6

About 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine

4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 79599390) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID79599390
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(=CCCNC(C)C)CC1CCOCC1
InChIInChI=1S/C14H27NO/c1-12(2)15-8-4-5-13(3)11-14-6-9-16-10-7-14/h5,12,14-15H,4,6-11H2,1-3H3
InChIKeyPNUTUAMATNIDCV-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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

(Z)-4-(oxan-3-yl)-N-propan-2-ylpent-3-en-1-amine
CID 107138010
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
2-methyl-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62529489
4-methyl-N-propan-2-ylhept-3-en-6-yn-1-amine
CID 79598493
3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
CID 64503037
N-(2-methylpropyl)-4-(oxolan-3-yl)pent-3-en-1-amine
CID 79606970
(5-chloro-2-methylpent-2-enyl)cyclopropane
CID 79604228
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
(Z)-4-methyl-5-(5-methyloxolan-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 103132390
N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158324
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide
CID 139304684

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine (CID 79599390) is 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine is CC(=CCCNC(C)C)CC1CCOCC1.
What is the InChIKey of 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is PNUTUAMATNIDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)15-8-4-5-13(3)11-14-6-9-16-10-7-14/h5,12,14-15H,4,6-11H2,1-3H3.
What are the key properties of 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine?
4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 79599390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).