4-(aminomethyl)-2-methylheptan-3-ol

C9H21NO — CID 54096831

IUPAC4-(aminomethyl)-2-methylheptan-3-ol
SMILESCCCC(CN)C(O)C(C)C
InChIInChI=1S/C9H21NO/c1-4-5-8(6-10)9(11)7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyMXRTVTKIOSLSIL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds5

About 4-(aminomethyl)-2-methylheptan-3-ol

4-(aminomethyl)-2-methylheptan-3-ol (PubChem CID 54096831) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylheptan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylheptan-3-ol
PubChem CID54096831
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-(aminomethyl)-2-methylheptan-3-ol
SMILESCCCC(CN)C(O)C(C)C
InChIInChI=1S/C9H21NO/c1-4-5-8(6-10)9(11)7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyMXRTVTKIOSLSIL-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylheptan-3-ol?
The IUPAC name of 4-(aminomethyl)-2-methylheptan-3-ol (CID 54096831) is 4-(aminomethyl)-2-methylheptan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-2-methylheptan-3-ol?
The canonical SMILES for 4-(aminomethyl)-2-methylheptan-3-ol is CCCC(CN)C(O)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2-methylheptan-3-ol?
The InChIKey is MXRTVTKIOSLSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-8(6-10)9(11)7(2)3/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-methylheptan-3-ol?
4-(aminomethyl)-2-methylheptan-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylheptan-3-ol is sourced from PubChem (CID 54096831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).