3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine

C14H30N2 — CID 62430346

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1CCC(C)CC1C
InChIInChI=1S/C14H30N2/c1-5-7-15-10-13(3)11-16-8-6-12(2)9-14(16)4/h12-15H,5-11H2,1-4H3
InChIKeyRYCSKEQQOUQWPT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine

3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 62430346) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID62430346
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1CCC(C)CC1C
InChIInChI=1S/C14H30N2/c1-5-7-15-10-13(3)11-16-8-6-12(2)9-14(16)4/h12-15H,5-11H2,1-4H3
InChIKeyRYCSKEQQOUQWPT-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

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
CID 130645010
5-(2,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62429994
1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62331948
(2R)-1-(2,4-dimethylpiperidin-1-yl)propan-2-ol
CID 103935109
4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899261
2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
1-(2,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 62331770
N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
CID 55074418
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
CID 55069148
2-methyl-3-(4-methylcyclohexyl)-N-propylpropan-1-amine
CID 64776338
1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-2-amine
CID 62330026
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
CID 104960024

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine (CID 62430346) is 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)CN1CCC(C)CC1C.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is RYCSKEQQOUQWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-7-15-10-13(3)11-16-8-6-12(2)9-14(16)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine?
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-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 3-(2,4-dimethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 62430346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).