N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine

C12H28N2 — CID 62636047

IUPACN'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CCC)NCCN(C)CC
InChIInChI=1S/C12H28N2/c1-5-8-12(9-6-2)13-10-11-14(4)7-3/h12-13H,5-11H2,1-4H3
InChIKeyPIOUCCIHKFUPNJ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine

N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine (PubChem CID 62636047) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
PubChem CID62636047
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CCC)NCCN(C)CC
InChIInChI=1S/C12H28N2/c1-5-8-12(9-6-2)13-10-11-14(4)7-3/h12-13H,5-11H2,1-4H3
InChIKeyPIOUCCIHKFUPNJ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine (CID 62636047) is N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine is CCCC(CCC)NCCN(C)CC.
What is the InChIKey of N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The InChIKey is PIOUCCIHKFUPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-8-12(9-6-2)13-10-11-14(4)7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62636047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).