(2S)-2-methylpiperidine-4,4-diamine

C6H15N3 — CID 166124732

IUPAC(2S)-2-methylpiperidine-4,4-diamine
SMILESC[C@H]1CC(N)(N)CCN1
InChIInChI=1S/C6H15N3/c1-5-4-6(7,8)2-3-9-5/h5,9H,2-4,7-8H2,1H3/t5-/m0/s1
InChIKeyJQJJLVIDXCBHSJ-YFKPBYRVSA-N
MW129.21 g/mol
LogP-0.63
Rot. Bonds

About (2S)-2-methylpiperidine-4,4-diamine

(2S)-2-methylpiperidine-4,4-diamine (PubChem CID 166124732) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is (2S)-2-methylpiperidine-4,4-diamine.

Molecular Properties

Compound Name(2S)-2-methylpiperidine-4,4-diamine
PubChem CID166124732
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name(2S)-2-methylpiperidine-4,4-diamine
SMILESC[C@H]1CC(N)(N)CCN1
InChIInChI=1S/C6H15N3/c1-5-4-6(7,8)2-3-9-5/h5,9H,2-4,7-8H2,1H3/t5-/m0/s1
InChIKeyJQJJLVIDXCBHSJ-YFKPBYRVSA-N
XLogP-0.63
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.63
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

9-methyl-8-azaspiro[4.5]decane
CID 118001586
2-methyl-4-propan-2-ylpiperidin-4-ol
CID 83815565
6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
CID 176939886
4-ethynyl-2-methylpiperidin-4-ol
CID 45079343
ethane;6-methyl-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide
CID 176939885
4-(1-aminopropan-2-yl)-2-methylpiperidin-4-ol
CID 165446656
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
(2S)-2,5,5-trimethyl-1,4-diazepane
CID 172679311
(5S,7R)-7-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 97010257
(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
CID 15235153
cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
CID 10981759
(3S)-3-methyl-2-azaspiro[4.5]decane;hydrochloride
CID 154577147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylpiperidine-4,4-diamine?
The IUPAC name of (2S)-2-methylpiperidine-4,4-diamine (CID 166124732) is (2S)-2-methylpiperidine-4,4-diamine.
What is the SMILES notation for (2S)-2-methylpiperidine-4,4-diamine?
The canonical SMILES for (2S)-2-methylpiperidine-4,4-diamine is C[C@H]1CC(N)(N)CCN1.
What is the InChIKey of (2S)-2-methylpiperidine-4,4-diamine?
The InChIKey is JQJJLVIDXCBHSJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N3/c1-5-4-6(7,8)2-3-9-5/h5,9H,2-4,7-8H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-methylpiperidine-4,4-diamine?
(2S)-2-methylpiperidine-4,4-diamine has a molecular weight of 129.21 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpiperidine-4,4-diamine is sourced from PubChem (CID 166124732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).