7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol

C15H32N2O2 — CID 91011969

IUPAC7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol
SMILESC=CC(O)C(CC)NC(O)C(C)CCCCC(C)N
InChIInChI=1S/C15H32N2O2/c1-5-13(14(18)6-2)17-15(19)11(3)9-7-8-10-12(4)16/h6,11-15,17-19H,2,5,7-10,16H2,1,3-4H3
InChIKeyJTDKPPZDERQRNI-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.76
Rot. Bonds11

About 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol

7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol (PubChem CID 91011969) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol.

Molecular Properties

Compound Name7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol
PubChem CID91011969
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol
SMILESC=CC(O)C(CC)NC(O)C(C)CCCCC(C)N
InChIInChI=1S/C15H32N2O2/c1-5-13(14(18)6-2)17-15(19)11(3)9-7-8-10-12(4)16/h6,11-15,17-19H,2,5,7-10,16H2,1,3-4H3
InChIKeyJTDKPPZDERQRNI-UHFFFAOYSA-N
XLogP1.76
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-5-cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918983
5-Cyclohexyl-4-(propan-2-ylamino)pent-1-en-3-ol
CID 57918995
1-[(4-Hydroxy-5-methylhex-5-en-3-yl)amino]octadecan-1-ol
CID 91342522
10-Amino-5-[[[1-hydroxy-2-methyl-5-(propan-2-ylamino)pentyl]amino]methyl]-3-methylideneundecan-4-ol
CID 91417760
(2S)-2-[(2-amino-1-hydroxyethyl)amino]-4-ethenyl-6,6-dimethyloct-7-en-1-ol
CID 126589686
(Z)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]octadec-9-en-1-ol
CID 143858810
(2R,3R,6R)-6-(2-methylpropyl)-2-prop-2-enylpiperidin-1-ium-3-ol
CID 21607941
(2R,3R,6R)-6-(2-methylpropyl)-2-prop-2-enylpiperidin-3-ol
CID 21607942
1-Cyclopentyl-3-(pent-4-en-2-ylamino)propan-2-ol
CID 103158307
1-Cyclohexyl-2-(hex-5-en-2-ylamino)ethanol
CID 104582217
4-(1-Hydroxyprop-2-enylamino)dec-9-en-3-ol
CID 142012128

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol?
The IUPAC name of 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol (CID 91011969) is 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol.
What is the SMILES notation for 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol?
The canonical SMILES for 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol is C=CC(O)C(CC)NC(O)C(C)CCCCC(C)N.
What is the InChIKey of 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol?
The InChIKey is JTDKPPZDERQRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-13(14(18)6-2)17-15(19)11(3)9-7-8-10-12(4)16/h6,11-15,17-19H,2,5,7-10,16H2,1,3-4H3.
What are the key properties of 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol?
7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 1.76, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-hydroxyhex-5-en-3-ylamino)-2-methyloctan-1-ol is sourced from PubChem (CID 91011969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).