N,1-dimethylazepan-4-amine;molecular hydrogen

C8H20N2 — CID 156821685

IUPACN,1-dimethylazepan-4-amine;molecular hydrogen
SMILESCNC1CCCN(C)CC1.[H][H]
InChIInChI=1S/C8H18N2.H2/c1-9-8-4-3-6-10(2)7-5-8;/h8-9H,3-7H2,1-2H3;1H
InChIKeyBXIVVTZFEKYGKW-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.94
Rot. Bonds1

About N,1-dimethylazepan-4-amine;molecular hydrogen

N,1-dimethylazepan-4-amine;molecular hydrogen (PubChem CID 156821685) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N,1-dimethylazepan-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN,1-dimethylazepan-4-amine;molecular hydrogen
PubChem CID156821685
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN,1-dimethylazepan-4-amine;molecular hydrogen
SMILESCNC1CCCN(C)CC1.[H][H]
InChIInChI=1S/C8H18N2.H2/c1-9-8-4-3-6-10(2)7-5-8;/h8-9H,3-7H2,1-2H3;1H
InChIKeyBXIVVTZFEKYGKW-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
1,4-dimethylpiperazine;ethane;N-methylcyclopentanamine
CID 143216901
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
methyl-N-[(4S)-1-methylazepan-4-yl]boronamidic acid
CID 59142730
1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
CID 65075081
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
1-methyl-N-pentan-3-ylazepan-4-amine
CID 65070836
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
1-methyl-N-(2-methylcyclopentyl)azepan-4-amine
CID 65075133
N-methyl-1-propylazepan-4-amine
CID 65072873

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylazepan-4-amine;molecular hydrogen?
The IUPAC name of N,1-dimethylazepan-4-amine;molecular hydrogen (CID 156821685) is N,1-dimethylazepan-4-amine;molecular hydrogen.
What is the SMILES notation for N,1-dimethylazepan-4-amine;molecular hydrogen?
The canonical SMILES for N,1-dimethylazepan-4-amine;molecular hydrogen is CNC1CCCN(C)CC1.[H][H].
What is the InChIKey of N,1-dimethylazepan-4-amine;molecular hydrogen?
The InChIKey is BXIVVTZFEKYGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.H2/c1-9-8-4-3-6-10(2)7-5-8;/h8-9H,3-7H2,1-2H3;1H.
What are the key properties of N,1-dimethylazepan-4-amine;molecular hydrogen?
N,1-dimethylazepan-4-amine;molecular hydrogen has a molecular weight of 144.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylazepan-4-amine;molecular hydrogen is sourced from PubChem (CID 156821685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).