7-amino-2-methyl-3-propan-2-ylheptan-3-ol

C11H25NO — CID 172999458

IUPAC7-amino-2-methyl-3-propan-2-ylheptan-3-ol
SMILESCC(C)C(O)(CCCCN)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)11(13,10(3)4)7-5-6-8-12/h9-10,13H,5-8,12H2,1-4H3
InChIKeyHNSMEXGLRKMTRV-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.16
Rot. Bonds6

About 7-amino-2-methyl-3-propan-2-ylheptan-3-ol

7-amino-2-methyl-3-propan-2-ylheptan-3-ol (PubChem CID 172999458) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 7-amino-2-methyl-3-propan-2-ylheptan-3-ol.

Molecular Properties

Compound Name7-amino-2-methyl-3-propan-2-ylheptan-3-ol
PubChem CID172999458
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name7-amino-2-methyl-3-propan-2-ylheptan-3-ol
SMILESCC(C)C(O)(CCCCN)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)11(13,10(3)4)7-5-6-8-12/h9-10,13H,5-8,12H2,1-4H3
InChIKeyHNSMEXGLRKMTRV-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methyl-3-propan-2-ylheptan-3-ol?
The IUPAC name of 7-amino-2-methyl-3-propan-2-ylheptan-3-ol (CID 172999458) is 7-amino-2-methyl-3-propan-2-ylheptan-3-ol.
What is the SMILES notation for 7-amino-2-methyl-3-propan-2-ylheptan-3-ol?
The canonical SMILES for 7-amino-2-methyl-3-propan-2-ylheptan-3-ol is CC(C)C(O)(CCCCN)C(C)C.
What is the InChIKey of 7-amino-2-methyl-3-propan-2-ylheptan-3-ol?
The InChIKey is HNSMEXGLRKMTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)11(13,10(3)4)7-5-6-8-12/h9-10,13H,5-8,12H2,1-4H3.
What are the key properties of 7-amino-2-methyl-3-propan-2-ylheptan-3-ol?
7-amino-2-methyl-3-propan-2-ylheptan-3-ol has a molecular weight of 187.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methyl-3-propan-2-ylheptan-3-ol is sourced from PubChem (CID 172999458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).