N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine

C10H23N3 — CID 62418612

IUPACN-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
SMILESCNCC(C)N1CCCN(C)CC1
InChIInChI=1S/C10H23N3/c1-10(9-11-2)13-6-4-5-12(3)7-8-13/h10-11H,4-9H2,1-3H3
InChIKeyRKYXLOMRTSAVTF-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.23
Rot. Bonds3

About N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine

N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine (PubChem CID 62418612) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
PubChem CID62418612
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
SMILESCNCC(C)N1CCCN(C)CC1
InChIInChI=1S/C10H23N3/c1-10(9-11-2)13-6-4-5-12(3)7-8-13/h10-11H,4-9H2,1-3H3
InChIKeyRKYXLOMRTSAVTF-UHFFFAOYSA-N
XLogP0.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-N-prop-2-ynylpropan-1-amine
CID 62558175
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
N-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 62411870
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]propan-2-amine
CID 62437742
1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
N-[2-(4-methylpiperazin-1-yl)propyl]formamide
CID 87675606
2-(8-azaspiro[4.5]decan-8-yl)-N-methylpropan-1-amine
CID 63163571
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467
1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane
CID 82511442
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
CID 62556778
1-hexan-3-yl-4-methyl-1,4-diazepane
CID 170392230

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine (CID 62418612) is N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine is CNCC(C)N1CCCN(C)CC1.
What is the InChIKey of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
The InChIKey is RKYXLOMRTSAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10(9-11-2)13-6-4-5-12(3)7-8-13/h10-11H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine?
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine is sourced from PubChem (CID 62418612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).