3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine

C12H27N3 — CID 56965528

IUPAC3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCCNCC1
InChIInChI=1S/C12H27N3/c1-3-14(4-2)10-6-11-15-9-5-7-13-8-12-15/h13H,3-12H2,1-2H3
InChIKeyMBSRQZOEVHOQHO-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds6

About 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine

3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine (PubChem CID 56965528) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine
PubChem CID56965528
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCCNCC1
InChIInChI=1S/C12H27N3/c1-3-14(4-2)10-6-11-15-9-5-7-13-8-12-15/h13H,3-12H2,1-2H3
InChIKeyMBSRQZOEVHOQHO-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994465
1-butyl-1,4-diazepane;ethane
CID 168976024
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
3-(1,4-diazepan-1-yl)-N-methylpropan-1-amine;ethane;molecular hydrogen
CID 142021934
3-(1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 142128574
1-(3-chloropropyl)-1,4-diazepane;dihydrochloride
CID 44784791
4-(1,4-diazepan-1-yl)butan-1-amine
CID 64981149
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
1-(3-methylsulfinylpropyl)-1,4-diazepane
CID 84672724
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine (CID 56965528) is 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine is CCN(CC)CCCN1CCCNCC1.
What is the InChIKey of 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine?
The InChIKey is MBSRQZOEVHOQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-14(4-2)10-6-11-15-9-5-7-13-8-12-15/h13H,3-12H2,1-2H3.
What are the key properties of 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine?
3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 56965528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).