1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine

C14H26N4 — CID 79053969

IUPAC1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)Cc1cnccc1N
InChIInChI=1S/C14H26N4/c1-5-18(6-2)14(3,4)13(16)9-11-10-17-8-7-12(11)15/h7-8,10,13H,5-6,9,16H2,1-4H3,(H2,15,17)
InChIKeyWQUSWSZZLBFPFQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.65
Rot. Bonds6

About 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine

1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine (PubChem CID 79053969) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
PubChem CID79053969
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)Cc1cnccc1N
InChIInChI=1S/C14H26N4/c1-5-18(6-2)14(3,4)13(16)9-11-10-17-8-7-12(11)15/h7-8,10,13H,5-6,9,16H2,1-4H3,(H2,15,17)
InChIKeyWQUSWSZZLBFPFQ-UHFFFAOYSA-N
XLogP1.65
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79063484
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3-(2-chlorobutyl)pyridin-4-amine
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1-(4-amino-3-pyridinyl)-3-ethylpentane-2,3-diol
CID 103449230
3-[4-(diethylamino)-2-hydrazinylbutyl]pyridin-4-amine
CID 105244246
3-(2-amino-3-propylsulfanylpropyl)pyridin-4-amine
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3-[3-(ethylamino)-2-methylpropyl]pyridin-4-amine
CID 64663911
4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
CID 116608441
3-(bromomethyl)pyridin-4-amine
CID 18674607
3-(4-chloro-2-methylpentyl)pyridin-4-amine
CID 64721238
3-(2-hydrazinyl-3-methoxypentyl)pyridin-4-amine
CID 105270886
1-(4-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069633

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine (CID 79053969) is 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine is CCN(CC)C(C)(C)C(N)Cc1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The InChIKey is WQUSWSZZLBFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-18(6-2)14(3,4)13(16)9-11-10-17-8-7-12(11)15/h7-8,10,13H,5-6,9,16H2,1-4H3,(H2,15,17).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine is sourced from PubChem (CID 79053969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).