(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol

C10H22N2O — CID 141043572

IUPAC(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol
SMILESCCCN1C[C@H](O)[C@@H](N)CC[C@H]1C
InChIInChI=1S/C10H22N2O/c1-3-6-12-7-10(13)9(11)5-4-8(12)2/h8-10,13H,3-7,11H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeySLHPDFCUVJDVRF-UTLUCORTSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds2

About (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol

(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol (PubChem CID 141043572) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol.

Molecular Properties

Compound Name(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol
PubChem CID141043572
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol
SMILESCCCN1C[C@H](O)[C@@H](N)CC[C@H]1C
InChIInChI=1S/C10H22N2O/c1-3-6-12-7-10(13)9(11)5-4-8(12)2/h8-10,13H,3-7,11H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeySLHPDFCUVJDVRF-UTLUCORTSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol?
The IUPAC name of (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol (CID 141043572) is (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol.
What is the SMILES notation for (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol?
The canonical SMILES for (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol is CCCN1C[C@H](O)[C@@H](N)CC[C@H]1C.
What is the InChIKey of (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol?
The InChIKey is SLHPDFCUVJDVRF-UTLUCORTSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-6-12-7-10(13)9(11)5-4-8(12)2/h8-10,13H,3-7,11H2,1-2H3/t8-,9+,10+/m1/s1.
What are the key properties of (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol?
(3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,7R)-4-amino-7-methyl-1-propylazepan-3-ol is sourced from PubChem (CID 141043572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).