(4-methoxyazepan-4-yl)methanamine

C8H18N2O — CID 105431048

IUPAC(4-methoxyazepan-4-yl)methanamine
SMILESCOC1(CN)CCCNCC1
InChIInChI=1S/C8H18N2O/c1-11-8(7-9)3-2-5-10-6-4-8/h10H,2-7,9H2,1H3
InChIKeyDSTXJDLHIFQYRR-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.10
Rot. Bonds2

About (4-methoxyazepan-4-yl)methanamine

(4-methoxyazepan-4-yl)methanamine (PubChem CID 105431048) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (4-methoxyazepan-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyazepan-4-yl)methanamine
PubChem CID105431048
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(4-methoxyazepan-4-yl)methanamine
SMILESCOC1(CN)CCCNCC1
InChIInChI=1S/C8H18N2O/c1-11-8(7-9)3-2-5-10-6-4-8/h10H,2-7,9H2,1H3
InChIKeyDSTXJDLHIFQYRR-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-4-methylazepane
CID 89561879
4-Ethyl-4-methoxyazepane
CID 89840470
(4R)-4-methoxy-4-methylazepane
CID 99801906
4-(Methylaminomethyl)azepan-4-ol
CID 105431060
1-Oxa-4,10-diazaspiro[5.6]dodecane
CID 129069928
1-Oxa-3,9-diazaspiro[4.6]undecane
CID 138582776
9-Methyl-1-oxa-3,9-diazaspiro[4.6]undecane
CID 139365126
2,2-Dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecane
CID 145297769
2-Methyl-1-oxa-4,10-diazaspiro[5.6]dodecane
CID 145297772
3-(3-Methoxypyrrolidin-3-yl)propan-1-amine
CID 177005742
4-[(Dimethylamino)methyl]-4-azepanol
CID 56698907
10-Methyl-1-oxa-4,10-diazaspiro[5.6]dodecane
CID 83482931

Frequently Asked Questions

What is the IUPAC name of (4-methoxyazepan-4-yl)methanamine?
The IUPAC name of (4-methoxyazepan-4-yl)methanamine (CID 105431048) is (4-methoxyazepan-4-yl)methanamine.
What is the SMILES notation for (4-methoxyazepan-4-yl)methanamine?
The canonical SMILES for (4-methoxyazepan-4-yl)methanamine is COC1(CN)CCCNCC1.
What is the InChIKey of (4-methoxyazepan-4-yl)methanamine?
The InChIKey is DSTXJDLHIFQYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-8(7-9)3-2-5-10-6-4-8/h10H,2-7,9H2,1H3.
What are the key properties of (4-methoxyazepan-4-yl)methanamine?
(4-methoxyazepan-4-yl)methanamine has a molecular weight of 158.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyazepan-4-yl)methanamine is sourced from PubChem (CID 105431048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).