2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine

C14H30N2 — CID 103503235

IUPAC2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)11-15-7-10-16-8-5-14(6-9-16)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyNJOCDEXSMXUHSG-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.60
Rot. Bonds6

About 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine

2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine (PubChem CID 103503235) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine
PubChem CID103503235
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCC(C(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12(2)11-15-7-10-16-8-5-14(6-9-16)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyNJOCDEXSMXUHSG-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
CID 62411059
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
CID 62575111
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentan-1-amine
CID 61240666
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine (CID 103503235) is 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine is CC(C)CNCCN1CCC(C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine?
The InChIKey is NJOCDEXSMXUHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)11-15-7-10-16-8-5-14(6-9-16)13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103503235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).