1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol

C15H25NO — CID 163368220

IUPAC1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol
SMILESC=C(C)/C=C\C=C/CCC(C)(CN)C1(O)CC1
InChIInChI=1S/C15H25NO/c1-13(2)8-6-4-5-7-9-14(3,12-16)15(17)10-11-15/h4-6,8,17H,1,7,9-12,16H2,2-3H3/b5-4-,8-6-
InChIKeyNFCLULKUXQSQSJ-NADLECRISA-N
MW235.37 g/mol
LogP2.94
Rot. Bonds7

About 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol

1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol (PubChem CID 163368220) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol
PubChem CID163368220
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol
SMILESC=C(C)/C=C\C=C/CCC(C)(CN)C1(O)CC1
InChIInChI=1S/C15H25NO/c1-13(2)8-6-4-5-7-9-14(3,12-16)15(17)10-11-15/h4-6,8,17H,1,7,9-12,16H2,2-3H3/b5-4-,8-6-
InChIKeyNFCLULKUXQSQSJ-NADLECRISA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol?
The IUPAC name of 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol (CID 163368220) is 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol is C=C(C)/C=C\C=C/CCC(C)(CN)C1(O)CC1.
What is the InChIKey of 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol?
The InChIKey is NFCLULKUXQSQSJ-NADLECRISA-N. The full InChI is InChI=1S/C15H25NO/c1-13(2)8-6-4-5-7-9-14(3,12-16)15(17)10-11-15/h4-6,8,17H,1,7,9-12,16H2,2-3H3/b5-4-,8-6-.
What are the key properties of 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol?
1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,7Z)-1-amino-2,9-dimethyldeca-5,7,9-trien-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 163368220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).