N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C15H34N4 — CID 62831308

IUPACN'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CCN1CCCNCC1
InChIInChI=1S/C15H34N4/c1-15(2)14-19(11-10-17(3)4)13-12-18-8-5-6-16-7-9-18/h15-16H,5-14H2,1-4H3
InChIKeyNEDPIBGJYMFWAQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP0.80
Rot. Bonds8

About N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62831308) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62831308
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC NameN'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CCN1CCCNCC1
InChIInChI=1S/C15H34N4/c1-15(2)14-19(11-10-17(3)4)13-12-18-8-5-6-16-7-9-18/h15-16H,5-14H2,1-4H3
InChIKeyNEDPIBGJYMFWAQ-UHFFFAOYSA-N
XLogP0.80
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
CID 54773489
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994465
1-(5-methylhexyl)-1,5-diazocane
CID 115326852
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine
CID 56965528
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
1-butyl-1,4-diazepane;ethane
CID 168976024
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674
1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421291

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62831308) is N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)CCN1CCCNCC1.
What is the InChIKey of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is NEDPIBGJYMFWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-15(2)14-19(11-10-17(3)4)13-12-18-8-5-6-16-7-9-18/h15-16H,5-14H2,1-4H3.
What are the key properties of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62831308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).