(4R,5S)-5-amino-1-methylazepan-4-ol

C7H16N2O — CID 176703641

IUPAC(4R,5S)-5-amino-1-methylazepan-4-ol
SMILESCN1CC[C@@H](O)[C@@H](N)CC1
InChIInChI=1S/C7H16N2O/c1-9-4-2-6(8)7(10)3-5-9/h6-7,10H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyCAEQFWSXWXZDPA-NKWVEPMBSA-N
MW144.22 g/mol
LogP-0.60
Rot. Bonds

About (4R,5S)-5-amino-1-methylazepan-4-ol

(4R,5S)-5-amino-1-methylazepan-4-ol (PubChem CID 176703641) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (4R,5S)-5-amino-1-methylazepan-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-amino-1-methylazepan-4-ol
PubChem CID176703641
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(4R,5S)-5-amino-1-methylazepan-4-ol
SMILESCN1CC[C@@H](O)[C@@H](N)CC1
InChIInChI=1S/C7H16N2O/c1-9-4-2-6(8)7(10)3-5-9/h6-7,10H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKeyCAEQFWSXWXZDPA-NKWVEPMBSA-N
XLogP-0.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
5-amino-1-ethylazepan-4-ol
CID 177033460
ethane;5-fluoro-1-methylazepan-4-ol
CID 166157376
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
ethane;1-methylpiperidin-4-amine
CID 123622295
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
cis-(1S,2R)-2-aminocyclohexan-1-ol
CID 2724651
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-amino-1-methylazepan-4-ol?
The IUPAC name of (4R,5S)-5-amino-1-methylazepan-4-ol (CID 176703641) is (4R,5S)-5-amino-1-methylazepan-4-ol.
What is the SMILES notation for (4R,5S)-5-amino-1-methylazepan-4-ol?
The canonical SMILES for (4R,5S)-5-amino-1-methylazepan-4-ol is CN1CC[C@@H](O)[C@@H](N)CC1.
What is the InChIKey of (4R,5S)-5-amino-1-methylazepan-4-ol?
The InChIKey is CAEQFWSXWXZDPA-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9-4-2-6(8)7(10)3-5-9/h6-7,10H,2-5,8H2,1H3/t6-,7+/m0/s1.
What are the key properties of (4R,5S)-5-amino-1-methylazepan-4-ol?
(4R,5S)-5-amino-1-methylazepan-4-ol has a molecular weight of 144.22 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-amino-1-methylazepan-4-ol is sourced from PubChem (CID 176703641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).