[(4S)-4-methoxyazepan-1-yl]methanamine

C8H18N2O — CID 178155799

IUPAC[(4S)-4-methoxyazepan-1-yl]methanamine
SMILESCO[C@H]1CCCN(CN)CC1
InChIInChI=1S/C8H18N2O/c1-11-8-3-2-5-10(7-9)6-4-8/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyYRFQDKBOXWVAOI-QMMMGPOBSA-N
MW158.24 g/mol
LogP0.40
Rot. Bonds2

About [(4S)-4-methoxyazepan-1-yl]methanamine

[(4S)-4-methoxyazepan-1-yl]methanamine (PubChem CID 178155799) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [(4S)-4-methoxyazepan-1-yl]methanamine.

Molecular Properties

Compound Name[(4S)-4-methoxyazepan-1-yl]methanamine
PubChem CID178155799
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[(4S)-4-methoxyazepan-1-yl]methanamine
SMILESCO[C@H]1CCCN(CN)CC1
InChIInChI=1S/C8H18N2O/c1-11-8-3-2-5-10(7-9)6-4-8/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyYRFQDKBOXWVAOI-QMMMGPOBSA-N
XLogP0.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxypiperidin-1-yl)methanamine
CID 129270206
(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol
CID 164647914
4-methoxy-1-methylazepane
CID 22967045
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901
2-methoxy-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 106115075
1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
5-(3-methoxypiperidin-1-yl)-4-methylpentan-1-amine
CID 102963876
ethane;piperidin-1-ylmethanamine
CID 166079141
2-ethyl-4-(4-methoxypiperidin-1-yl)butan-1-amine
CID 81079775
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
azane;methoxycyclopentane
CID 70270429

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methoxyazepan-1-yl]methanamine?
The IUPAC name of [(4S)-4-methoxyazepan-1-yl]methanamine (CID 178155799) is [(4S)-4-methoxyazepan-1-yl]methanamine.
What is the SMILES notation for [(4S)-4-methoxyazepan-1-yl]methanamine?
The canonical SMILES for [(4S)-4-methoxyazepan-1-yl]methanamine is CO[C@H]1CCCN(CN)CC1.
What is the InChIKey of [(4S)-4-methoxyazepan-1-yl]methanamine?
The InChIKey is YRFQDKBOXWVAOI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-8-3-2-5-10(7-9)6-4-8/h8H,2-7,9H2,1H3/t8-/m0/s1.
What are the key properties of [(4S)-4-methoxyazepan-1-yl]methanamine?
[(4S)-4-methoxyazepan-1-yl]methanamine has a molecular weight of 158.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-methoxyazepan-1-yl]methanamine is sourced from PubChem (CID 178155799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).