N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C12H28N2 — CID 62575437

IUPACN-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCNCCN(CC)CC(C)C
InChIInChI=1S/C12H28N2/c1-5-7-8-13-9-10-14(6-2)11-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyYXHQKVMYEDPGTN-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds9

About N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62575437) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62575437
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCCNCCN(CC)CC(C)C
InChIInChI=1S/C12H28N2/c1-5-7-8-13-9-10-14(6-2)11-12(3)4/h12-13H,5-11H2,1-4H3
InChIKeyYXHQKVMYEDPGTN-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N'-[[bis(2-methylpropyl)amino]methyl]-N,N'-dibutylethane-1,2-diamine
CID 57148222
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575773
N-(2-ethoxyethyl)-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575445
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-[2-(diethylamino)ethyl]-N'-[(2R)-hexan-2-yl]propane-1,3-diamine
CID 92763316
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482603

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62575437) is N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCCCNCCN(CC)CC(C)C.
What is the InChIKey of N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is YXHQKVMYEDPGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-7-8-13-9-10-14(6-2)11-12(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-ethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62575437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).