2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine

C15H32N2 — CID 106708126

IUPAC2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
SMILESCC1CCCN(CCCCC(C)(C)CN)CC1
InChIInChI=1S/C15H32N2/c1-14-7-6-11-17(12-8-14)10-5-4-9-15(2,3)13-16/h14H,4-13,16H2,1-3H3
InChIKeyDZMYZQMAXLNTKN-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds6

About 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine

2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine (PubChem CID 106708126) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
PubChem CID106708126
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
SMILESCC1CCCN(CCCCC(C)(C)CN)CC1
InChIInChI=1S/C15H32N2/c1-14-7-6-11-17(12-8-14)10-5-4-9-15(2,3)13-16/h14H,4-13,16H2,1-3H3
InChIKeyDZMYZQMAXLNTKN-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
1-(6-amino-5,5-dimethylhexyl)-3-methylpiperidin-4-ol
CID 106708252
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095
1-(6-amino-5,5-dimethylhexyl)piperidine-3-carboxamide
CID 106707851
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
N-[1-(6-amino-5,5-dimethylhexyl)piperidin-4-yl]acetamide
CID 106708228
6-(1,1-dioxo-1,4-thiazepan-4-yl)-2,2-dimethylhexan-1-amine
CID 114083387
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62262995
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine (CID 106708126) is 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine is CC1CCCN(CCCCC(C)(C)CN)CC1.
What is the InChIKey of 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine?
The InChIKey is DZMYZQMAXLNTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14-7-6-11-17(12-8-14)10-5-4-9-15(2,3)13-16/h14H,4-13,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine?
2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine is sourced from PubChem (CID 106708126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).