6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine

C14H26N4 — CID 80807099

IUPAC6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)CCN(C)C)n1
InChIInChI=1S/C14H26N4/c1-5-10-15-13-7-6-8-14(17-13)16-12(2)9-11-18(3)4/h6-8,12H,5,9-11H2,1-4H3,(H2,15,16,17)
InChIKeyQBCVRECRECXCJX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.66
Rot. Bonds8

About 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine

6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80807099) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
PubChem CID80807099
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)CCN(C)C)n1
InChIInChI=1S/C14H26N4/c1-5-10-15-13-7-6-8-14(17-13)16-12(2)9-11-18(3)4/h6-8,12H,5,9-11H2,1-4H3,(H2,15,16,17)
InChIKeyQBCVRECRECXCJX-UHFFFAOYSA-N
XLogP2.66
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
CID 80800465
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
2-N-ethyl-6-N-(4-methoxybutan-2-yl)pyridine-2,6-diamine
CID 80843613
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine (CID 80807099) is 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC(C)CCN(C)C)n1.
What is the InChIKey of 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is QBCVRECRECXCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-10-15-13-7-6-8-14(17-13)16-12(2)9-11-18(3)4/h6-8,12H,5,9-11H2,1-4H3,(H2,15,16,17).
What are the key properties of 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine?
6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)butan-2-yl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80807099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).