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

C14H31N3 — CID 62654671

IUPACN,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCC1CCCCN1C
InChIInChI=1S/C14H31N3/c1-14(2,12-16(3)4)11-15-10-13-8-6-7-9-17(13)5/h13,15H,6-12H2,1-5H3
InChIKeyVPWPAYQCTCSXGK-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

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

N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine (PubChem CID 62654671) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
PubChem CID62654671
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCC1CCCCN1C
InChIInChI=1S/C14H31N3/c1-14(2,12-16(3)4)11-15-10-13-8-6-7-9-17(13)5/h13,15H,6-12H2,1-5H3
InChIKeyVPWPAYQCTCSXGK-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 62657745
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
2-N,2-N,2-trimethyl-1-N-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,2-diamine
CID 55024501
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
CID 62655060
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103244498
1-(2-methylcyclopentyl)-N-[(1-methylpiperidin-2-yl)methyl]methanamine
CID 107417066
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
CID 58874495

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine (CID 62654671) is N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine is CN(C)CC(C)(C)CNCC1CCCCN1C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is VPWPAYQCTCSXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2,12-16(3)4)11-15-10-13-8-6-7-9-17(13)5/h13,15H,6-12H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 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-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62654671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).