3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine

C17H36N2 — CID 107870115

IUPAC3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCC(C)CCN(CCC(C)C)CC1NCCCC1C
InChIInChI=1S/C17H36N2/c1-14(2)8-11-19(12-9-15(3)4)13-17-16(5)7-6-10-18-17/h14-18H,6-13H2,1-5H3
InChIKeyBDQKHDDFIPHOPI-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds8

About 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine

3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine (PubChem CID 107870115) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine
PubChem CID107870115
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCC(C)CCN(CCC(C)C)CC1NCCCC1C
InChIInChI=1S/C17H36N2/c1-14(2)8-11-19(12-9-15(3)4)13-17-16(5)7-6-10-18-17/h14-18H,6-13H2,1-5H3
InChIKeyBDQKHDDFIPHOPI-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
CID 107068950
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]propan-1-amine
CID 107069000
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107068970
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]pentan-2-amine
CID 107069020
N-(cyclobutylmethyl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
CID 107399335
N-(cyclopropylmethyl)-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107069115
N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine
CID 107069129
N,2-dimethyl-N-[(3-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102775601
1-cyclopentyl-N-methyl-N-[(3-methylpiperidin-2-yl)methyl]methanamine
CID 107069267
(3-methylpiperidin-2-yl)methanol
CID 19898861
N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
CID 176601289
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 107069430

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine (CID 107870115) is 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine is CC(C)CCN(CCC(C)C)CC1NCCCC1C.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine?
The InChIKey is BDQKHDDFIPHOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-14(2)8-11-19(12-9-15(3)4)13-17-16(5)7-6-10-18-17/h14-18H,6-13H2,1-5H3.
What are the key properties of 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine?
3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 107870115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).