4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol

C12H25NO — CID 83151026

IUPAC4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol
SMILESCC(C)CC(CN)C(O)C(C)C1CC1
InChIInChI=1S/C12H25NO/c1-8(2)6-11(7-13)12(14)9(3)10-4-5-10/h8-12,14H,4-7,13H2,1-3H3
InChIKeyXKPRBRNKYPJHKV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.01
Rot. Bonds6

About 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol

4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol (PubChem CID 83151026) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol
PubChem CID83151026
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol
SMILESCC(C)CC(CN)C(O)C(C)C1CC1
InChIInChI=1S/C12H25NO/c1-8(2)6-11(7-13)12(14)9(3)10-4-5-10/h8-12,14H,4-7,13H2,1-3H3
InChIKeyXKPRBRNKYPJHKV-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol?
The IUPAC name of 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol (CID 83151026) is 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol?
The canonical SMILES for 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol is CC(C)CC(CN)C(O)C(C)C1CC1.
What is the InChIKey of 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol?
The InChIKey is XKPRBRNKYPJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-8(2)6-11(7-13)12(14)9(3)10-4-5-10/h8-12,14H,4-7,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol?
4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-cyclopropyl-6-methylheptan-3-ol is sourced from PubChem (CID 83151026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).