3-(aminomethyl)heptan-4-ol

C8H19NO — CID 54499673

IUPAC3-(aminomethyl)heptan-4-ol
SMILESCCCC(O)C(CC)CN
InChIInChI=1S/C8H19NO/c1-3-5-8(10)7(4-2)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyYBOFEBVJMZXLMK-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About 3-(aminomethyl)heptan-4-ol

3-(aminomethyl)heptan-4-ol (PubChem CID 54499673) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-(aminomethyl)heptan-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)heptan-4-ol
PubChem CID54499673
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-(aminomethyl)heptan-4-ol
SMILESCCCC(O)C(CC)CN
InChIInChI=1S/C8H19NO/c1-3-5-8(10)7(4-2)6-9/h7-8,10H,3-6,9H2,1-2H3
InChIKeyYBOFEBVJMZXLMK-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
(2-ethyl-3-hydroxyhexyl)urea
CID 22381162
4-(aminomethyl)undecan-5-ol
CID 79416345
3-(methoxymethyl)heptan-4-ol
CID 83051551
ethane-1,2-diol;2-ethylhexane-1,3-diol;propane
CID 174469450
4-(aminomethyl)-1-phenylhexan-3-ol
CID 65187755
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
5-butylnonan-4-ol
CID 173066814
octane-4,5-diol;hydrate
CID 141056272
(2S)-2-amino-5-(aminomethyl)-6-ethylnonanoic acid
CID 56639407
bis(2-ethyl-3-hydroxyhexyl) but-2-enedioate
CID 54562434
2,4-diethylpentane-1,5-diol;2-ethylhexane-1,3-diol
CID 174808442

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)heptan-4-ol?
The IUPAC name of 3-(aminomethyl)heptan-4-ol (CID 54499673) is 3-(aminomethyl)heptan-4-ol.
What is the SMILES notation for 3-(aminomethyl)heptan-4-ol?
The canonical SMILES for 3-(aminomethyl)heptan-4-ol is CCCC(O)C(CC)CN.
What is the InChIKey of 3-(aminomethyl)heptan-4-ol?
The InChIKey is YBOFEBVJMZXLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-5-8(10)7(4-2)6-9/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)heptan-4-ol?
3-(aminomethyl)heptan-4-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)heptan-4-ol is sourced from PubChem (CID 54499673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).