4-(aminomethyl)-3-ethylheptan-3-ol

C10H23NO — CID 79416340

IUPAC4-(aminomethyl)-3-ethylheptan-3-ol
SMILESCCCC(CN)C(O)(CC)CC
InChIInChI=1S/C10H23NO/c1-4-7-9(8-11)10(12,5-2)6-3/h9,12H,4-8,11H2,1-3H3
InChIKeyJEGARUQDXNNPPO-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.91
Rot. Bonds6

About 4-(aminomethyl)-3-ethylheptan-3-ol

4-(aminomethyl)-3-ethylheptan-3-ol (PubChem CID 79416340) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-(aminomethyl)-3-ethylheptan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-ethylheptan-3-ol
PubChem CID79416340
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-(aminomethyl)-3-ethylheptan-3-ol
SMILESCCCC(CN)C(O)(CC)CC
InChIInChI=1S/C10H23NO/c1-4-7-9(8-11)10(12,5-2)6-3/h9,12H,4-8,11H2,1-3H3
InChIKeyJEGARUQDXNNPPO-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-5-methylnonan-5-ol
CID 165443396
2-(2-fluoropropan-2-yl)pentan-1-amine
CID 105429102
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
4-(aminomethyl)hexane-3,3-diol
CID 175462556
4-amino-5-propyloctan-4-ol
CID 18625026
4-amino-5-propyloctan-4-ol;hydrochloride
CID 173241712
4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol
CID 79134647
4,6-dipropylnonane-5,5-disulfonic acid
CID 89439471
4-ethylheptane-3,3-diamine
CID 87457758
5-amino-3-(aminomethyl)-2-methylpentan-2-ol
CID 173461843
1-amino-3-propylhexane-2,3-diol
CID 90113292
3-(methoxymethyl)-4-methylheptan-3-ol
CID 107892647

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-ethylheptan-3-ol?
The IUPAC name of 4-(aminomethyl)-3-ethylheptan-3-ol (CID 79416340) is 4-(aminomethyl)-3-ethylheptan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-3-ethylheptan-3-ol?
The canonical SMILES for 4-(aminomethyl)-3-ethylheptan-3-ol is CCCC(CN)C(O)(CC)CC.
What is the InChIKey of 4-(aminomethyl)-3-ethylheptan-3-ol?
The InChIKey is JEGARUQDXNNPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-7-9(8-11)10(12,5-2)6-3/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 4-(aminomethyl)-3-ethylheptan-3-ol?
4-(aminomethyl)-3-ethylheptan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-ethylheptan-3-ol is sourced from PubChem (CID 79416340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).