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

C16H30N4 — CID 79093708

IUPAC4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1ccnc(N)c1
InChIInChI=1S/C16H30N4/c1-4-9-18-15(8-11-20(5-2)6-3)12-14-7-10-19-16(17)13-14/h7,10,13,15,18H,4-6,8-9,11-12H2,1-3H3,(H2,17,19)
InChIKeyVHPQSDZHJKEVGF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.31
Rot. Bonds10

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

4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine (PubChem CID 79093708) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
PubChem CID79093708
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)Cc1ccnc(N)c1
InChIInChI=1S/C16H30N4/c1-4-9-18-15(8-11-20(5-2)6-3)12-14-7-10-19-16(17)13-14/h7,10,13,15,18H,4-6,8-9,11-12H2,1-3H3,(H2,17,19)
InChIKeyVHPQSDZHJKEVGF-UHFFFAOYSA-N
XLogP2.31
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088
1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
CID 79087656
4-[3-propan-2-ylsulfanyl-2-(propylamino)propyl]pyridin-2-amine
CID 65132138
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
4-[2-(2-methylpyrimidin-4-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115530998
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566
1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
CID 79760507
4-[3-ethoxy-3-methyl-2-(propylamino)butyl]pyridin-2-amine
CID 116727253
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
4-[2-(2-methylfuran-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 104790403
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine (CID 79093708) is 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(CC)CC)Cc1ccnc(N)c1.
What is the InChIKey of 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is VHPQSDZHJKEVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-9-18-15(8-11-20(5-2)6-3)12-14-7-10-19-16(17)13-14/h7,10,13,15,18H,4-6,8-9,11-12H2,1-3H3,(H2,17,19).
What are the key properties of 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine?
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79093708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).