3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine

C15H26N4 — CID 62470227

IUPAC3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCCN(C)CC1
InChIInChI=1S/C15H26N4/c1-3-7-16-15-14(6-4-8-17-15)13-19-10-5-9-18(2)11-12-19/h4,6,8H,3,5,7,9-13H2,1-2H3,(H,16,17)
InChIKeyBBYMDVHSEQZXMM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds5

About 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine

3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62470227) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62470227
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CN1CCCN(C)CC1
InChIInChI=1S/C15H26N4/c1-3-7-16-15-14(6-4-8-17-15)13-19-10-5-9-18(2)11-12-19/h4,6,8H,3,5,7,9-13H2,1-2H3,(H,16,17)
InChIKeyBBYMDVHSEQZXMM-UHFFFAOYSA-N
XLogP2.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
3-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469718
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
CID 107408579
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propylpyridin-2-amine
CID 63024773
3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 107394997
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propylpyridin-2-amine
CID 79164091
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
4-[[2-(ethylamino)-3-pyridinyl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892610
1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
CID 55075717

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine (CID 62470227) is 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ncccc1CN1CCCN(C)CC1.
What is the InChIKey of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is BBYMDVHSEQZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-7-16-15-14(6-4-8-17-15)13-19-10-5-9-18(2)11-12-19/h4,6,8H,3,5,7,9-13H2,1-2H3,(H,16,17).
What are the key properties of 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine?
3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62470227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).