N',N'-bis(2-methylpropyl)pentane-1,5-diamine

C13H30N2 — CID 3723368

IUPACN',N'-bis(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CN(CCCCCN)CC(C)C
InChIInChI=1S/C13H30N2/c1-12(2)10-15(11-13(3)4)9-7-5-6-8-14/h12-13H,5-11,14H2,1-4H3
InChIKeyLLOCHSZLPLWNJG-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.73
Rot. Bonds9

About N',N'-bis(2-methylpropyl)pentane-1,5-diamine

N',N'-bis(2-methylpropyl)pentane-1,5-diamine (PubChem CID 3723368) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)pentane-1,5-diamine
PubChem CID3723368
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN',N'-bis(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CN(CCCCCN)CC(C)C
InChIInChI=1S/C13H30N2/c1-12(2)10-15(11-13(3)4)9-7-5-6-8-14/h12-13H,5-11,14H2,1-4H3
InChIKeyLLOCHSZLPLWNJG-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.73
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'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 140903513
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methylpropyl)pentane-1,5-diamine?
The IUPAC name of N',N'-bis(2-methylpropyl)pentane-1,5-diamine (CID 3723368) is N',N'-bis(2-methylpropyl)pentane-1,5-diamine.
What is the SMILES notation for N',N'-bis(2-methylpropyl)pentane-1,5-diamine?
The canonical SMILES for N',N'-bis(2-methylpropyl)pentane-1,5-diamine is CC(C)CN(CCCCCN)CC(C)C.
What is the InChIKey of N',N'-bis(2-methylpropyl)pentane-1,5-diamine?
The InChIKey is LLOCHSZLPLWNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-12(2)10-15(11-13(3)4)9-7-5-6-8-14/h12-13H,5-11,14H2,1-4H3.
What are the key properties of N',N'-bis(2-methylpropyl)pentane-1,5-diamine?
N',N'-bis(2-methylpropyl)pentane-1,5-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 3723368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).