4-(aminomethyl)hept-3-ene-1,7-diol

C8H17NO2 — CID 91186810

IUPAC4-(aminomethyl)hept-3-ene-1,7-diol
SMILESNCC(=CCCO)CCCO
InChIInChI=1S/C8H17NO2/c9-7-8(3-1-5-10)4-2-6-11/h3,10-11H,1-2,4-7,9H2
InChIKeyAFEITJWBVKXICQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.03
Rot. Bonds6

About 4-(aminomethyl)hept-3-ene-1,7-diol

4-(aminomethyl)hept-3-ene-1,7-diol (PubChem CID 91186810) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(aminomethyl)hept-3-ene-1,7-diol.

Molecular Properties

Compound Name4-(aminomethyl)hept-3-ene-1,7-diol
PubChem CID91186810
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(aminomethyl)hept-3-ene-1,7-diol
SMILESNCC(=CCCO)CCCO
InChIInChI=1S/C8H17NO2/c9-7-8(3-1-5-10)4-2-6-11/h3,10-11H,1-2,4-7,9H2
InChIKeyAFEITJWBVKXICQ-UHFFFAOYSA-N
XLogP0.03
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E,8E)-10-amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 88811405
3-(3-Aminopropylidene)pentane-1,5-diol
CID 89719667
5-(Aminomethyl)non-4-ene-1,9-diol
CID 90875683
3-(3-Aminopropyl)pent-2-ene-1,5-diol
CID 90971273
(5E)-1-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 117940818
5-Amino-3-(2-hydroxyethyl)hept-3-ene-1,7-diol
CID 118014788
(2E,3Z,4Z)-4-(aminomethyl)-2-ethylidene-3-prop-2-enylidenehepta-4,6-dien-1-ol;ethane
CID 141952959
(E)-3-(2-aminoethyl)hex-3-en-1-ol
CID 153155491
(Z,3S)-4-(aminomethyl)-3-methylnon-4-en-1-ol
CID 164098426
10-Amino-4,8-dimethyldeca-4,8-dien-1-ol
CID 173451830
(Z)-7-amino-3-ethylhept-3-en-1-ol
CID 83980364
(2E,3Z,4Z)-4-(aminomethyl)-2-ethylidene-3-prop-2-enylidenehepta-4,6-dien-1-ol
CID 141952960

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)hept-3-ene-1,7-diol?
The IUPAC name of 4-(aminomethyl)hept-3-ene-1,7-diol (CID 91186810) is 4-(aminomethyl)hept-3-ene-1,7-diol.
What is the SMILES notation for 4-(aminomethyl)hept-3-ene-1,7-diol?
The canonical SMILES for 4-(aminomethyl)hept-3-ene-1,7-diol is NCC(=CCCO)CCCO.
What is the InChIKey of 4-(aminomethyl)hept-3-ene-1,7-diol?
The InChIKey is AFEITJWBVKXICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c9-7-8(3-1-5-10)4-2-6-11/h3,10-11H,1-2,4-7,9H2.
What are the key properties of 4-(aminomethyl)hept-3-ene-1,7-diol?
4-(aminomethyl)hept-3-ene-1,7-diol has a molecular weight of 159.23 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)hept-3-ene-1,7-diol is sourced from PubChem (CID 91186810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).