(Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol

C12H25NO — CID 143357275

IUPAC(Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol
SMILESCCCCC(C)/C(=C/O)NC(C)CC
InChIInChI=1S/C12H25NO/c1-5-7-8-10(3)12(9-14)13-11(4)6-2/h9-11,13-14H,5-8H2,1-4H3/b12-9-
InChIKeyOTVQRAABCFTOLT-XFXZXTDPSA-N
MW199.34 g/mol
LogP3.60
Rot. Bonds7

About (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol

(Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol (PubChem CID 143357275) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol
PubChem CID143357275
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol
SMILESCCCCC(C)/C(=C/O)NC(C)CC
InChIInChI=1S/C12H25NO/c1-5-7-8-10(3)12(9-14)13-11(4)6-2/h9-11,13-14H,5-8H2,1-4H3/b12-9-
InChIKeyOTVQRAABCFTOLT-XFXZXTDPSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol?
The IUPAC name of (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol (CID 143357275) is (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol.
What is the SMILES notation for (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol?
The canonical SMILES for (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol is CCCCC(C)/C(=C/O)NC(C)CC.
What is the InChIKey of (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol?
The InChIKey is OTVQRAABCFTOLT-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-8-10(3)12(9-14)13-11(4)6-2/h9-11,13-14H,5-8H2,1-4H3/b12-9-.
What are the key properties of (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol?
(Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol has a molecular weight of 199.34 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(butan-2-ylamino)-3-methylhept-1-en-1-ol is sourced from PubChem (CID 143357275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).