7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine

C16H34N2 — CID 65296260

IUPAC7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine
SMILESCC(N)CCCC(C)CN1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-14(7-5-8-15(2)17)13-18-11-6-9-16(3,4)10-12-18/h14-15H,5-13,17H2,1-4H3
InChIKeyRMYUFLISPHNWBA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds6

About 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine

7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine (PubChem CID 65296260) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine.

Molecular Properties

Compound Name7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine
PubChem CID65296260
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine
SMILESCC(N)CCCC(C)CN1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-14(7-5-8-15(2)17)13-18-11-6-9-16(3,4)10-12-18/h14-15H,5-13,17H2,1-4H3
InChIKeyRMYUFLISPHNWBA-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4,4-dimethylpiperidin-1-yl)pentan-2-amine
CID 62935849
1-(4,4-dimethylazepan-1-yl)-N-ethylpropan-2-amine
CID 65281511
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
3-(4,4-dimethylazepan-1-yl)-2-methyl-N-propylpropan-1-amine
CID 65282503
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
6-methyl-7-(4-methylsulfonylpiperazin-1-yl)heptan-2-amine
CID 65295734
6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
CID 65296095
3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872983
3-(4,4-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62931692
1-(2,2-dimethoxyethyl)-4,4-dimethylazepane
CID 66222358
6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
CID 79170849
3-(4,4-dimethylazepan-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 65282253

Frequently Asked Questions

What is the IUPAC name of 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine?
The IUPAC name of 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine (CID 65296260) is 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine.
What is the SMILES notation for 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine?
The canonical SMILES for 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine is CC(N)CCCC(C)CN1CCCC(C)(C)CC1.
What is the InChIKey of 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine?
The InChIKey is RMYUFLISPHNWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(7-5-8-15(2)17)13-18-11-6-9-16(3,4)10-12-18/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine?
7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine is sourced from PubChem (CID 65296260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).