1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine

C15H31N3 — CID 140985778

IUPAC1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine
SMILESCC1(C)C=C(C(N)CCCCCN)CC(C)(C)N1
InChIInChI=1S/C15H31N3/c1-14(2)10-12(11-15(3,4)18-14)13(17)8-6-5-7-9-16/h10,13,18H,5-9,11,16-17H2,1-4H3
InChIKeyQNPZLLSCXWFUJK-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.31
Rot. Bonds6

About 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine

1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine (PubChem CID 140985778) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine
PubChem CID140985778
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine
SMILESCC1(C)C=C(C(N)CCCCCN)CC(C)(C)N1
InChIInChI=1S/C15H31N3/c1-14(2)10-12(11-15(3,4)18-14)13(17)8-6-5-7-9-16/h10,13,18H,5-9,11,16-17H2,1-4H3
InChIKeyQNPZLLSCXWFUJK-UHFFFAOYSA-N
XLogP2.31
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
octadecane-1,5-diamine
CID 154229011
nonadecane-1,13-diamine
CID 102135569
undecane-1,6-diamine
CID 18419788
pentacosane-1,13,25-triamine
CID 174653759
(1R)-1-(3,5-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171202162
undecane-1,10-diamine
CID 140782210
decane-1,9-diamine
CID 23448369
(8S)-nonane-1,8-diamine
CID 87205838
1-iododecane-1,10-diamine
CID 175279846

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine?
The IUPAC name of 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine (CID 140985778) is 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine?
The canonical SMILES for 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine is CC1(C)C=C(C(N)CCCCCN)CC(C)(C)N1.
What is the InChIKey of 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine?
The InChIKey is QNPZLLSCXWFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2)10-12(11-15(3,4)18-14)13(17)8-6-5-7-9-16/h10,13,18H,5-9,11,16-17H2,1-4H3.
What are the key properties of 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine?
1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine has a molecular weight of 253.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 140985778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).