N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine

C19H35NO — CID 170291023

IUPACN-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine
SMILESC=C(C)CC(C)CCC(CNC1COC1)/C(C)=C\C(C)C
InChIInChI=1S/C19H35NO/c1-14(2)9-16(5)7-8-18(17(6)10-15(3)4)11-20-19-12-21-13-19/h10,15-16,18-20H,1,7-9,11-13H2,2-6H3/b17-10-
InChIKeyUMHNICSDCDRDAB-YVLHZVERSA-N
MW293.50 g/mol
LogP4.58
Rot. Bonds10

About N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine

N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine (PubChem CID 170291023) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine.

Molecular Properties

Compound NameN-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine
PubChem CID170291023
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine
SMILESC=C(C)CC(C)CCC(CNC1COC1)/C(C)=C\C(C)C
InChIInChI=1S/C19H35NO/c1-14(2)9-16(5)7-8-18(17(6)10-15(3)4)11-20-19-12-21-13-19/h10,15-16,18-20H,1,7-9,11-13H2,2-6H3/b17-10-
InChIKeyUMHNICSDCDRDAB-YVLHZVERSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine?
The IUPAC name of N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine (CID 170291023) is N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine.
What is the SMILES notation for N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine?
The canonical SMILES for N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine is C=C(C)CC(C)CCC(CNC1COC1)/C(C)=C\C(C)C.
What is the InChIKey of N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine?
The InChIKey is UMHNICSDCDRDAB-YVLHZVERSA-N. The full InChI is InChI=1S/C19H35NO/c1-14(2)9-16(5)7-8-18(17(6)10-15(3)4)11-20-19-12-21-13-19/h10,15-16,18-20H,1,7-9,11-13H2,2-6H3/b17-10-.
What are the key properties of N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine?
N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine has a molecular weight of 293.50 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-dimethyl-2-[(Z)-4-methylpent-2-en-2-yl]oct-7-enyl]oxetan-3-amine is sourced from PubChem (CID 170291023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).