1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine

C13H21N3 — CID 116651532

IUPAC1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)C2CC2)cn1
InChIInChI=1S/C13H21N3/c1-10-3-4-11(8-15-10)9-16(2)13(7-14)12-5-6-12/h3-4,8,12-13H,5-7,9,14H2,1-2H3
InChIKeyOTEPYCVCIMHIMQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.56
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 116651532) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID116651532
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)C2CC2)cn1
InChIInChI=1S/C13H21N3/c1-10-3-4-11(8-15-10)9-16(2)13(7-14)12-5-6-12/h3-4,8,12-13H,5-7,9,14H2,1-2H3
InChIKeyOTEPYCVCIMHIMQ-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651487
1-cyclopropyl-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651217
1-cyclopropyl-N-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 116652924
1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 116652940
N-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]cyclohexanamine
CID 20791723
2-(aminomethyl)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
CID 104822694
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652775
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
CID 116652443
1-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylethane-1,2-diamine
CID 116652609
N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine (CID 116651532) is 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine is Cc1ccc(CN(C)C(CN)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is OTEPYCVCIMHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-3-4-11(8-15-10)9-16(2)13(7-14)12-5-6-12/h3-4,8,12-13H,5-7,9,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 116651532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).