N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

C13H29N3 — CID 742545

IUPACN,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-13(2,11-15(3)4)10-14-12-6-8-16(5)9-7-12/h12,14H,6-11H2,1-5H3
InChIKeyNFLLYLNCPYLCOH-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds5

About N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 742545) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID742545
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNC1CCN(C)CC1
InChIInChI=1S/C13H29N3/c1-13(2,11-15(3)4)10-14-12-6-8-16(5)9-7-12/h12,14H,6-11H2,1-5H3
InChIKeyNFLLYLNCPYLCOH-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4'-Bipiperidine
CID 78607
N,N-Dimethylpiperidin-4-amine
CID 417391
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-Methyl-4-(methylamino)piperidine
CID 566323
4-Amino-1-methylpiperidine
CID 2737531
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1-Ethylpiperidin-4-amine
CID 3734990
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
4-(1-Pyrrolidinyl)piperidine
CID 78703
N,N-diethylpiperidin-4-amine
CID 2758239
N,N-dipropylpiperidin-4-amine
CID 3824021
N-(Propan-2-yl)piperidin-4-amine
CID 22394351

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 742545) is N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is CN(C)CC(C)(C)CNC1CCN(C)CC1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is NFLLYLNCPYLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2,11-15(3)4)10-14-12-6-8-16(5)9-7-12/h12,14H,6-11H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 742545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).