2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine

C14H30N2 — CID 115607178

IUPAC2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine
SMILESCC1CCCN(C(C)CNCC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-12-7-6-8-16(10-12)13(2)9-15-11-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyAISRTQPZFOJZPV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds4

About 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine

2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine (PubChem CID 115607178) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine
PubChem CID115607178
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine
SMILESCC1CCCN(C(C)CNCC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-12-7-6-8-16(10-12)13(2)9-15-11-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyAISRTQPZFOJZPV-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887280
N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437982
2-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570690
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
N-ethyl-4-(3-methylpiperidin-1-yl)pentan-2-amine
CID 64705920
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62263553
2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
CID 64725193
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-[2-(3-methylpiperidin-1-yl)propyl]-4-nitroaniline
CID 60505986
N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]morpholine-4-sulfonamide
CID 94024918
2-methyl-1-(3-methylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110977378

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine (CID 115607178) is 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine is CC1CCCN(C(C)CNCC(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine?
The InChIKey is AISRTQPZFOJZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12-7-6-8-16(10-12)13(2)9-15-11-14(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine?
2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 115607178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).