1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine

C16H29N3O — CID 114937039

IUPAC1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(CC(C)C)CC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-12(2)10-19(11-13(3)4)15(8-17)14-6-7-16(20-5)18-9-14/h6-7,9,12-13,15H,8,10-11,17H2,1-5H3
InChIKeyHHNUKTTYFRZVLB-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.70
Rot. Bonds8

About 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine

1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114937039) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
PubChem CID114937039
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(CC(C)C)CC(C)C)cn1
InChIInChI=1S/C16H29N3O/c1-12(2)10-19(11-13(3)4)15(8-17)14-6-7-16(20-5)18-9-14/h6-7,9,12-13,15H,8,10-11,17H2,1-5H3
InChIKeyHHNUKTTYFRZVLB-UHFFFAOYSA-N
XLogP2.70
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937000
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937078
N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
CID 114937122
1-(6-methoxy-3-pyridinyl)-N,N-dimethylpropan-1-amine
CID 20622434
1-(6-methoxy-3-pyridinyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 114937012
5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
CID 114939064
1-(6-methoxy-3-pyridinyl)-N-methyl-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 114937259
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine (CID 114937039) is 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine is COc1ccc(C(CN)N(CC(C)C)CC(C)C)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is HHNUKTTYFRZVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)10-19(11-13(3)4)15(8-17)14-6-7-16(20-5)18-9-14/h6-7,9,12-13,15H,8,10-11,17H2,1-5H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine?
1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114937039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).