N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine

C11H28N4 — CID 176601082

IUPACN-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
SMILESCNCCNCCN(CCNC)C(C)C
InChIInChI=1S/C11H28N4/c1-11(2)15(9-7-13-4)10-8-14-6-5-12-3/h11-14H,5-10H2,1-4H3
InChIKeyBPOQZSMAJIYVQE-UHFFFAOYSA-N
MW216.37 g/mol
LogP-0.27
Rot. Bonds10

About N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine

N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine (PubChem CID 176601082) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
PubChem CID176601082
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC NameN-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine
SMILESCNCCNCCN(CCNC)C(C)C
InChIInChI=1S/C11H28N4/c1-11(2)15(9-7-13-4)10-8-14-6-5-12-3/h11-14H,5-10H2,1-4H3
InChIKeyBPOQZSMAJIYVQE-UHFFFAOYSA-N
XLogP-0.27
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[propan-2-yl(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 20625586
N'-[2-[bis[2-(methylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 20736880
N-(4-methylpentyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 55088829
N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 165403745
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-propan-2-ylethane-1,2-diamine
CID 82952747
ethane;N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 142040763
2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethyl-trimethylazanium
CID 176601730
N-methyl-N'-[2-(4-methylpyrrolidin-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 176601704
N'-[2-(4-fluoropyrrolidin-2-yl)ethyl]-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 176600987
N-(cyclopropylmethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 60867853
2-[propan-2-yl-[2-(2,2,2-trifluoroethylamino)ethyl]amino]ethanol
CID 176601530

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine (CID 176601082) is N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine is CNCCNCCN(CCNC)C(C)C.
What is the InChIKey of N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine?
The InChIKey is BPOQZSMAJIYVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-11(2)15(9-7-13-4)10-8-14-6-5-12-3/h11-14H,5-10H2,1-4H3.
What are the key properties of N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine?
N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of -0.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-[2-(methylamino)ethyl-propan-2-ylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 176601082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).