(Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol

C14H29NO — CID 166736833

IUPAC(Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol
SMILESCC/C=C(\N(CCC)CCCC)C(C)(C)O
InChIInChI=1S/C14H29NO/c1-6-9-12-15(11-8-3)13(10-7-2)14(4,5)16/h10,16H,6-9,11-12H2,1-5H3/b13-10-
InChIKeyOVLHUPMTCMOFDJ-RAXLEYEMSA-N
MW227.39 g/mol
LogP3.56
Rot. Bonds8

About (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol

(Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol (PubChem CID 166736833) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol.

Molecular Properties

Compound Name(Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol
PubChem CID166736833
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol
SMILESCC/C=C(\N(CCC)CCCC)C(C)(C)O
InChIInChI=1S/C14H29NO/c1-6-9-12-15(11-8-3)13(10-7-2)14(4,5)16/h10,16H,6-9,11-12H2,1-5H3/b13-10-
InChIKeyOVLHUPMTCMOFDJ-RAXLEYEMSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol?
The IUPAC name of (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol (CID 166736833) is (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol.
What is the SMILES notation for (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol?
The canonical SMILES for (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol is CC/C=C(\N(CCC)CCCC)C(C)(C)O.
What is the InChIKey of (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol?
The InChIKey is OVLHUPMTCMOFDJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-9-12-15(11-8-3)13(10-7-2)14(4,5)16/h10,16H,6-9,11-12H2,1-5H3/b13-10-.
What are the key properties of (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol?
(Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol has a molecular weight of 227.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol is sourced from PubChem (CID 166736833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).