N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine

C14H30N2 — CID 106329207

IUPACN-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine
SMILESCCNC1CCN(C(C)(CC)CC)C(C)C1
InChIInChI=1S/C14H30N2/c1-6-14(5,7-2)16-10-9-13(15-8-3)11-12(16)4/h12-13,15H,6-11H2,1-5H3
InChIKeyPBHLPYWOKXERSQ-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds5

About N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine

N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine (PubChem CID 106329207) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine
PubChem CID106329207
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine
SMILESCCNC1CCN(C(C)(CC)CC)C(C)C1
InChIInChI=1S/C14H30N2/c1-6-14(5,7-2)16-10-9-13(15-8-3)11-12(16)4/h12-13,15H,6-11H2,1-5H3
InChIKeyPBHLPYWOKXERSQ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine (CID 106329207) is N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine is CCNC1CCN(C(C)(CC)CC)C(C)C1.
What is the InChIKey of N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine?
The InChIKey is PBHLPYWOKXERSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14(5,7-2)16-10-9-13(15-8-3)11-12(16)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine?
N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(3-methylpentan-3-yl)piperidin-4-amine is sourced from PubChem (CID 106329207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).