2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine

C15H33N3 — CID 115200323

IUPAC2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
SMILESCN1CCC(C(C)(C)CNCC(C)(C)CN)CC1
InChIInChI=1S/C15H33N3/c1-14(2,10-16)11-17-12-15(3,4)13-6-8-18(5)9-7-13/h13,17H,6-12,16H2,1-5H3
InChIKeyRQTYCYHAGJJRRX-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.93
Rot. Bonds6

About 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine

2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine (PubChem CID 115200323) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
PubChem CID115200323
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
SMILESCN1CCC(C(C)(C)CNCC(C)(C)CN)CC1
InChIInChI=1S/C15H33N3/c1-14(2,10-16)11-17-12-15(3,4)13-6-8-18(5)9-7-13/h13,17H,6-12,16H2,1-5H3
InChIKeyRQTYCYHAGJJRRX-UHFFFAOYSA-N
XLogP1.93
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile
CID 115234404
1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine
CID 115204173
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
CID 115223620
N-(3-amino-2,2-dimethylpropyl)-1-methylpiperidine-4-sulfonamide
CID 115270989
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115162294
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine (CID 115200323) is 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine is CN1CCC(C(C)(C)CNCC(C)(C)CN)CC1.
What is the InChIKey of 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine?
The InChIKey is RQTYCYHAGJJRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14(2,10-16)11-17-12-15(3,4)13-6-8-18(5)9-7-13/h13,17H,6-12,16H2,1-5H3.
What are the key properties of 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine?
2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 115200323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).