N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine

C14H30N2 — CID 107069129

IUPACN,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine
SMILESCC1CCCNC1CN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-11-8-7-9-15-13(11)10-16(6)12(2)14(3,4)5/h11-13,15H,7-10H2,1-6H3
InChIKeyOPEJNUZMJSTHML-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds3

About N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine

N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine (PubChem CID 107069129) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine
PubChem CID107069129
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine
SMILESCC1CCCNC1CN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-11-8-7-9-15-13(11)10-16(6)12(2)14(3,4)5/h11-13,15H,7-10H2,1-6H3
InChIKeyOPEJNUZMJSTHML-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]propan-1-amine
CID 107069000
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 107069430
N-(cyclopropylmethyl)-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107069115
3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine
CID 107870115
1-cyclopentyl-N-methyl-N-[(3-methylpiperidin-2-yl)methyl]methanamine
CID 107069267
1-cyclopropyl-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775636
N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
CID 107068950
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]prop-2-en-1-amine
CID 107069463
3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 106778627
N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine (CID 107069129) is N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine is CC1CCCNC1CN(C)C(C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine?
The InChIKey is OPEJNUZMJSTHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11-8-7-9-15-13(11)10-16(6)12(2)14(3,4)5/h11-13,15H,7-10H2,1-6H3.
What are the key properties of N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine?
N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 107069129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).