N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine

C14H30N2 — CID 63129369

IUPACN-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CC)CCNCC1
InChIInChI=1S/C14H30N2/c1-5-13(3)11-16(4)12-14(6-2)7-9-15-10-8-14/h13,15H,5-12H2,1-4H3
InChIKeyUYGJDKVKRACJKQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine

N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 63129369) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID63129369
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CC1(CC)CCNCC1
InChIInChI=1S/C14H30N2/c1-5-13(3)11-16(4)12-14(6-2)7-9-15-10-8-14/h13,15H,5-12H2,1-4H3
InChIKeyUYGJDKVKRACJKQ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine (CID 63129369) is N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)CC1(CC)CCNCC1.
What is the InChIKey of N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is UYGJDKVKRACJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-13(3)11-16(4)12-14(6-2)7-9-15-10-8-14/h13,15H,5-12H2,1-4H3.
What are the key properties of N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperidin-4-yl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 63129369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).