N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen

C10H26N2 — CID 142254763

IUPACN,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen
SMILESCCNCCCC(C)CNCC.[H][H]
InChIInChI=1S/C10H24N2.H2/c1-4-11-8-6-7-10(3)9-12-5-2;/h10-12H,4-9H2,1-3H3;1H
InChIKeyTWUNYOMOTAHFLW-UHFFFAOYSA-N
MW174.33 g/mol
LogP1.87
Rot. Bonds8

About N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen

N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen (PubChem CID 142254763) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen.

Molecular Properties

Compound NameN,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen
PubChem CID142254763
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC NameN,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen
SMILESCCNCCCC(C)CNCC.[H][H]
InChIInChI=1S/C10H24N2.H2/c1-4-11-8-6-7-10(3)9-12-5-2;/h10-12H,4-9H2,1-3H3;1H
InChIKeyTWUNYOMOTAHFLW-UHFFFAOYSA-N
XLogP1.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
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-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N,N'-dibutyl-2,5-dimethylheptane-1,7-diamine;N,N'-diethyl-5-methylnonane-1,9-diamine
CID 21331399
N-ethyl-9-methylundecan-1-amine
CID 148817249
N-ethyl-11-methyltridecan-1-amine
CID 167239915
5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
1-N,5-N-diethyl-2-methylhexane-1,5-diamine
CID 129202816
4-(ethylamino)-2-methylbutan-1-ol
CID 55288287
N-ethyl-N'-[3-[3-(2-methylpropylamino)propylamino]propyl]propane-1,3-diamine
CID 58965211

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen?
The IUPAC name of N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen (CID 142254763) is N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen.
What is the SMILES notation for N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen?
The canonical SMILES for N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen is CCNCCCC(C)CNCC.[H][H].
What is the InChIKey of N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen?
The InChIKey is TWUNYOMOTAHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.H2/c1-4-11-8-6-7-10(3)9-12-5-2;/h10-12H,4-9H2,1-3H3;1H.
What are the key properties of N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen?
N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen has a molecular weight of 174.33 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-methylpentane-1,5-diamine;molecular hydrogen is sourced from PubChem (CID 142254763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).