N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine

C14H31N3 — CID 107446288

IUPACN'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(C)(CNCCNC(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(2,3)16-9-8-15-12-14(4)6-10-17(5)11-7-14/h15-16H,6-12H2,1-5H3
InChIKeyDEZNLMYSTZHINR-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.70
Rot. Bonds5

About N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine

N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine (PubChem CID 107446288) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine
PubChem CID107446288
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine
SMILESCN1CCC(C)(CNCCNC(C)(C)C)CC1
InChIInChI=1S/C14H31N3/c1-13(2,3)16-9-8-15-12-14(4)6-10-17(5)11-7-14/h15-16H,6-12H2,1-5H3
InChIKeyDEZNLMYSTZHINR-UHFFFAOYSA-N
XLogP1.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybutan-1-amine
CID 107163643
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107164198
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 107164095
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 107163702
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 103989894
N-carbamoyl-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163606
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
CID 107163609
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991987
N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163698

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine (CID 107446288) is N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine is CN1CCC(C)(CNCCNC(C)(C)C)CC1.
What is the InChIKey of N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is DEZNLMYSTZHINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2,3)16-9-8-15-12-14(4)6-10-17(5)11-7-14/h15-16H,6-12H2,1-5H3.
What are the key properties of N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine?
N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 107446288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).