3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine

C14H31N3 — CID 64942559

IUPAC3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(C)C1CN(CCCN(C)C)CCCN1
InChIInChI=1S/C14H31N3/c1-5-13(2)14-12-17(10-6-8-15-14)11-7-9-16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyNQWVJOBTLCKOAU-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine

3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 64942559) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID64942559
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(C)C1CN(CCCN(C)C)CCCN1
InChIInChI=1S/C14H31N3/c1-5-13(2)14-12-17(10-6-8-15-14)11-7-9-16(3)4/h13-15H,5-12H2,1-4H3
InChIKeyNQWVJOBTLCKOAU-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

3-butan-2-yl-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488328
3-butan-2-yl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519153
3-butan-2-yl-1-(3-ethoxypropyl)-1,4-diazepane
CID 64944486
3-butan-2-yl-1-(2-butoxyethyl)-1,4-diazepane
CID 64858228
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
3-butan-2-yl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64858415
3-butan-2-yl-1-(4-methylpentyl)piperazine
CID 64952597
3-butan-2-yl-1-[(2,2-dimethylcyclopropyl)methyl]-1,4-diazepane
CID 114109476
3-butan-2-yl-1-(3-methylbutyl)piperazine
CID 64833096
3-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943276
3-butan-2-yl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64858412
3-butan-2-yl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170076

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine (CID 64942559) is 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine is CCC(C)C1CN(CCCN(C)C)CCCN1.
What is the InChIKey of 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is NQWVJOBTLCKOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-13(2)14-12-17(10-6-8-15-14)11-7-9-16(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine?
3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yl-1,4-diazepan-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 64942559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).