4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol

C13H27NO — CID 115714778

IUPAC4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
SMILESC=CCC(C)C(C)NCC(O)CC(C)C
InChIInChI=1S/C13H27NO/c1-6-7-11(4)12(5)14-9-13(15)8-10(2)3/h6,10-15H,1,7-9H2,2-5H3
InChIKeyTXNNSGARFXIBJB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.58
Rot. Bonds8

About 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol

4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol (PubChem CID 115714778) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
PubChem CID115714778
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
SMILESC=CCC(C)C(C)NCC(O)CC(C)C
InChIInChI=1S/C13H27NO/c1-6-7-11(4)12(5)14-9-13(15)8-10(2)3/h6,10-15H,1,7-9H2,2-5H3
InChIKeyTXNNSGARFXIBJB-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine
CID 115717037
2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
CID 115714111
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine
CID 115710225
(2S)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]propane-1,2-diol
CID 104865645
S-[(4R,5S)-2,5-dimethyloct-7-en-4-yl]thiohydroxylamine
CID 146361099
3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
CID 103265692
(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
CID 174149816
CID 174149816
4-methyl-1-(5-methylheptan-3-ylamino)pentan-2-ol
CID 115714800
(4S,6E)-2-methylnona-6,8-dien-4-ol
CID 162418483
5-(bromomethyl)-4,7-dimethyloct-1-ene
CID 165445728

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol (CID 115714778) is 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol is C=CCC(C)C(C)NCC(O)CC(C)C.
What is the InChIKey of 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol?
The InChIKey is TXNNSGARFXIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-7-11(4)12(5)14-9-13(15)8-10(2)3/h6,10-15H,1,7-9H2,2-5H3.
What are the key properties of 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol?
4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol is sourced from PubChem (CID 115714778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).