(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol

C11H25NO — CID 174859457

IUPAC(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
SMILESCC(C)[C@](C)(CO)CCCCCN
InChIInChI=1S/C11H25NO/c1-10(2)11(3,9-13)7-5-4-6-8-12/h10,13H,4-9,12H2,1-3H3/t11-/m0/s1
InChIKeyGXAVKZFWJZUFIY-NSHDSACASA-N
MW187.33 g/mol
LogP2.16
Rot. Bonds7

About (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol

(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol (PubChem CID 174859457) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol.

Molecular Properties

Compound Name(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
PubChem CID174859457
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
SMILESCC(C)[C@](C)(CO)CCCCCN
InChIInChI=1S/C11H25NO/c1-10(2)11(3,9-13)7-5-4-6-8-12/h10,13H,4-9,12H2,1-3H3/t11-/m0/s1
InChIKeyGXAVKZFWJZUFIY-NSHDSACASA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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 (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol?
The IUPAC name of (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol (CID 174859457) is (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol.
What is the SMILES notation for (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol?
The canonical SMILES for (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol is CC(C)[C@](C)(CO)CCCCCN.
What is the InChIKey of (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol?
The InChIKey is GXAVKZFWJZUFIY-NSHDSACASA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)11(3,9-13)7-5-4-6-8-12/h10,13H,4-9,12H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol?
(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol is sourced from PubChem (CID 174859457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).