3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine

C19H29N5 — CID 170890877

IUPAC3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine
SMILESCCC(N)Cc1c(N)nc(N)c(CC(N)CC)c1-c1ccccc1
InChIInChI=1S/C19H29N5/c1-3-13(20)10-15-17(12-8-6-5-7-9-12)16(11-14(21)4-2)19(23)24-18(15)22/h5-9,13-14H,3-4,10-11,20-21H2,1-2H3,(H4,22,23,24)
InChIKeyQRYNQOMNPGLYDN-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.47
Rot. Bonds7

About 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine

3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine (PubChem CID 170890877) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine
PubChem CID170890877
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Name3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine
SMILESCCC(N)Cc1c(N)nc(N)c(CC(N)CC)c1-c1ccccc1
InChIInChI=1S/C19H29N5/c1-3-13(20)10-15-17(12-8-6-5-7-9-12)16(11-14(21)4-2)19(23)24-18(15)22/h5-9,13-14H,3-4,10-11,20-21H2,1-2H3,(H4,22,23,24)
InChIKeyQRYNQOMNPGLYDN-UHFFFAOYSA-N
XLogP2.47
TPSA116.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine?
The IUPAC name of 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine (CID 170890877) is 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine?
The canonical SMILES for 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine is CCC(N)Cc1c(N)nc(N)c(CC(N)CC)c1-c1ccccc1.
What is the InChIKey of 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine?
The InChIKey is QRYNQOMNPGLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-3-13(20)10-15-17(12-8-6-5-7-9-12)16(11-14(21)4-2)19(23)24-18(15)22/h5-9,13-14H,3-4,10-11,20-21H2,1-2H3,(H4,22,23,24).
What are the key properties of 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine?
3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine has a molecular weight of 327.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-aminobutyl)-4-phenylpyridine-2,6-diamine is sourced from PubChem (CID 170890877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).