ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol

C13H31NO — CID 143542015

IUPACethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol
SMILESC/C=C(\NC(C)C)C(C)(C)O.CC.CC
InChIInChI=1S/C9H19NO.2C2H6/c1-6-8(9(4,5)11)10-7(2)3;2*1-2/h6-7,10-11H,1-5H3;2*1-2H3/b8-6-;;
InChIKeyKNTBDMNRIRUHCU-OTDBEEGXSA-N
MW217.40 g/mol
LogP3.71
Rot. Bonds3

About ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol

ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol (PubChem CID 143542015) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol.

Molecular Properties

Compound Nameethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol
PubChem CID143542015
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Nameethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol
SMILESC/C=C(\NC(C)C)C(C)(C)O.CC.CC
InChIInChI=1S/C9H19NO.2C2H6/c1-6-8(9(4,5)11)10-7(2)3;2*1-2/h6-7,10-11H,1-5H3;2*1-2H3/b8-6-;;
InChIKeyKNTBDMNRIRUHCU-OTDBEEGXSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3E,5E)-5-(propylamino)octa-3,5-dien-4-ol
CID 143711001
(Z)-4-hydroxy-4-methyl-3-(propan-2-ylamino)pent-2-enethioamide;prop-1-en-2-amine
CID 153590858
(Z)-4-bromo-2-methyl-3-(propan-2-ylamino)hex-3-en-2-ol
CID 156048854
(Z)-3-[butyl(propyl)amino]-2-methylhex-3-en-2-ol
CID 166736833
(3E)-2-(propylamino)hexa-1,3-dien-3-ol
CID 166783149
2-(1,2-Dihydropyridin-6-yl)propan-2-ol
CID 173513641
(Z)-2,4-dimethyl-5-(propan-2-ylamino)pent-3-en-2-ol
CID 14398058
(E)-1-(ethylamino)-2-methylpent-3-en-2-ol
CID 55288456
1-(Ethylamino)-2,4-dimethylpent-3-en-2-ol
CID 79177547
2,4-Dimethyl-1-(propylamino)pent-3-en-2-ol
CID 79177775
2,4-Dimethyl-1-(propan-2-ylamino)pent-3-en-2-ol
CID 79177997
1-(Cyclopropylamino)-2,4-dimethylpent-3-en-2-ol
CID 79178217

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol?
The IUPAC name of ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol (CID 143542015) is ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol.
What is the SMILES notation for ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol?
The canonical SMILES for ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol is C/C=C(\NC(C)C)C(C)(C)O.CC.CC.
What is the InChIKey of ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol?
The InChIKey is KNTBDMNRIRUHCU-OTDBEEGXSA-N. The full InChI is InChI=1S/C9H19NO.2C2H6/c1-6-8(9(4,5)11)10-7(2)3;2*1-2/h6-7,10-11H,1-5H3;2*1-2H3/b8-6-;;.
What are the key properties of ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol?
ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol has a molecular weight of 217.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-methyl-3-(propan-2-ylamino)pent-3-en-2-ol is sourced from PubChem (CID 143542015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).