2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine

C17H36N2 — CID 63624510

IUPAC2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CN1CCCC(C)CC1
InChIInChI=1S/C17H36N2/c1-6-17(5,13-18-12-15(2)3)14-19-10-7-8-16(4)9-11-19/h15-16,18H,6-14H2,1-5H3
InChIKeyXIIOXJWPFAEFLC-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds7

About 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine

2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine (PubChem CID 63624510) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
PubChem CID63624510
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CN1CCCC(C)CC1
InChIInChI=1S/C17H36N2/c1-6-17(5,13-18-12-15(2)3)14-19-10-7-8-16(4)9-11-19/h15-16,18H,6-14H2,1-5H3
InChIKeyXIIOXJWPFAEFLC-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62263553
1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol
CID 106674168
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107395093
2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 62264057
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63620912
N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine
CID 55051897
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine (CID 63624510) is 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine is CCC(C)(CNCC(C)C)CN1CCCC(C)CC1.
What is the InChIKey of 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is XIIOXJWPFAEFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-17(5,13-18-12-15(2)3)14-19-10-7-8-16(4)9-11-19/h15-16,18H,6-14H2,1-5H3.
What are the key properties of 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine?
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63624510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).