3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol

C18H33NO — CID 143226655

IUPAC3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol
SMILESC=C(C)CCCC(=C)CC(C(C)O)C(CCN)C1CC1
InChIInChI=1S/C18H33NO/c1-13(2)6-5-7-14(3)12-18(15(4)20)17(10-11-19)16-8-9-16/h15-18,20H,1,3,5-12,19H2,2,4H3
InChIKeyPGABHJXPZBBCHN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.05
Rot. Bonds11

About 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol

3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol (PubChem CID 143226655) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol.

Molecular Properties

Compound Name3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol
PubChem CID143226655
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol
SMILESC=C(C)CCCC(=C)CC(C(C)O)C(CCN)C1CC1
InChIInChI=1S/C18H33NO/c1-13(2)6-5-7-14(3)12-18(15(4)20)17(10-11-19)16-8-9-16/h15-18,20H,1,3,5-12,19H2,2,4H3
InChIKeyPGABHJXPZBBCHN-UHFFFAOYSA-N
XLogP4.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
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 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol?
The IUPAC name of 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol (CID 143226655) is 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol.
What is the SMILES notation for 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol?
The canonical SMILES for 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol is C=C(C)CCCC(=C)CC(C(C)O)C(CCN)C1CC1.
What is the InChIKey of 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol?
The InChIKey is PGABHJXPZBBCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-13(2)6-5-7-14(3)12-18(15(4)20)17(10-11-19)16-8-9-16/h15-18,20H,1,3,5-12,19H2,2,4H3.
What are the key properties of 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol?
3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol has a molecular weight of 279.47 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1-cyclopropylpropyl)-9-methyl-5-methylidenedec-9-en-2-ol is sourced from PubChem (CID 143226655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).