4-N'-methylpiperidine-4,4-diamine

C6H15N3 — CID 167022021

IUPAC4-N'-methylpiperidine-4,4-diamine
SMILESCNC1(N)CCNCC1
InChIInChI=1S/C6H15N3/c1-8-6(7)2-4-9-5-3-6/h8-9H,2-5,7H2,1H3
InChIKeyYUKZWZFBLFSTPL-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.76
Rot. Bonds1

About 4-N'-methylpiperidine-4,4-diamine

4-N'-methylpiperidine-4,4-diamine (PubChem CID 167022021) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 4-N'-methylpiperidine-4,4-diamine.

Molecular Properties

Compound Name4-N'-methylpiperidine-4,4-diamine
PubChem CID167022021
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name4-N'-methylpiperidine-4,4-diamine
SMILESCNC1(N)CCNCC1
InChIInChI=1S/C6H15N3/c1-8-6(7)2-4-9-5-3-6/h8-9H,2-5,7H2,1H3
InChIKeyYUKZWZFBLFSTPL-UHFFFAOYSA-N
XLogP-0.76
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethylpiperidin-4-amine
CID 417391
4-Piperidinamine
CID 424361
1-Methyl-4-(methylamino)piperidine
CID 566323
4-Amino-1-methylpiperidine
CID 2737531
2-Aminopiperidine
CID 421842
N-(Propan-2-yl)piperidin-4-amine
CID 22394351
N-pentylpiperidin-4-amine
CID 44592820
2,2,3,3,4,5,5,6,6-Nonadeuteriopiperidin-4-amine
CID 117064915
N-Methyl-4-piperidinamine
CID 21973737
4-Aminopiperidine-3,3,4,5,5-d5
CID 117064667
2,2-Dimethylhexahydropyrimidine
CID 12367424
2-Ethylaminopiperidine
CID 18625409

Frequently Asked Questions

What is the IUPAC name of 4-N'-methylpiperidine-4,4-diamine?
The IUPAC name of 4-N'-methylpiperidine-4,4-diamine (CID 167022021) is 4-N'-methylpiperidine-4,4-diamine.
What is the SMILES notation for 4-N'-methylpiperidine-4,4-diamine?
The canonical SMILES for 4-N'-methylpiperidine-4,4-diamine is CNC1(N)CCNCC1.
What is the InChIKey of 4-N'-methylpiperidine-4,4-diamine?
The InChIKey is YUKZWZFBLFSTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-8-6(7)2-4-9-5-3-6/h8-9H,2-5,7H2,1H3.
What are the key properties of 4-N'-methylpiperidine-4,4-diamine?
4-N'-methylpiperidine-4,4-diamine has a molecular weight of 129.21 g/mol, XLogP of -0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-methylpiperidine-4,4-diamine is sourced from PubChem (CID 167022021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).