N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine

C12H28N2 — CID 89326365

IUPACN-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
SMILESCCN(CC(C)C)CC(C)CCCN
InChIInChI=1S/C12H28N2/c1-5-14(9-11(2)3)10-12(4)7-6-8-13/h11-12H,5-10,13H2,1-4H3
InChIKeyMPJHXMFDVMWDBH-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds8

About N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine

N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine (PubChem CID 89326365) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
PubChem CID89326365
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
SMILESCCN(CC(C)C)CC(C)CCCN
InChIInChI=1S/C12H28N2/c1-5-14(9-11(2)3)10-12(4)7-6-8-13/h11-12H,5-10,13H2,1-4H3
InChIKeyMPJHXMFDVMWDBH-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N-ethyl-2-methylpentane-1,5-diamine
CID 104681772
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
(2R)-N,N-diethyl-2-methylhexan-1-amine
CID 129390347
4,7-dimethyloctan-1-amine
CID 123439711
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
1-amino-3-[ethyl(2-methylpropyl)amino]propan-2-ol
CID 43273601
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469
4-methylheptan-1-amine
CID 18618988
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
The IUPAC name of N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine (CID 89326365) is N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine.
What is the SMILES notation for N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
The canonical SMILES for N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine is CCN(CC(C)C)CC(C)CCCN.
What is the InChIKey of N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
The InChIKey is MPJHXMFDVMWDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-14(9-11(2)3)10-12(4)7-6-8-13/h11-12H,5-10,13H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 89326365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).