1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine

C15H25N3 — CID 79122605

IUPAC1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)c2ncccc2C)CC1
InChIInChI=1S/C15H25N3/c1-4-16-13-7-9-14(10-8-13)18(3)15-12(2)6-5-11-17-15/h5-6,11,13-14,16H,4,7-10H2,1-3H3
InChIKeyRGVWBFSKTFPKOQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.75
Rot. Bonds4

About 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine

1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 79122605) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID79122605
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)c2ncccc2C)CC1
InChIInChI=1S/C15H25N3/c1-4-16-13-7-9-14(10-8-13)18(3)15-12(2)6-5-11-17-15/h5-6,11,13-14,16H,4,7-10H2,1-3H3
InChIKeyRGVWBFSKTFPKOQ-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5587
CID 5587
CID 1533
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CID 9066
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CID 15347
CID 15347
CID 15348
CID 15348
CID 23362
CID 23362
CID 14547
CID 14547
CID 81130
CID 81130
CID 94459
CID 94459
CID 21885
CID 21885
CID 20727
CID 20727
CID 11565518
CID 11565518

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine (CID 79122605) is 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine is CCNC1CCC(N(C)c2ncccc2C)CC1.
What is the InChIKey of 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is RGVWBFSKTFPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-13-7-9-14(10-8-13)18(3)15-12(2)6-5-11-17-15/h5-6,11,13-14,16H,4,7-10H2,1-3H3.
What are the key properties of 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-4-N-(3-methyl-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79122605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).