N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine

C13H30N2 — CID 62264489

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

About N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine

N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62264489) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62264489
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCCC(C)CN(CCCN)CC(C)C
InChIInChI=1S/C13H30N2/c1-5-7-13(4)11-15(9-6-8-14)10-12(2)3/h12-13H,5-11,14H2,1-4H3
InChIKeyKVEOGRKSLLYYGD-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

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Related Compounds

N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 89326365
N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N-butyl-N-ethyl-2-methylpentane-1,5-diamine
CID 104681772
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
CID 76937907
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
CID 102994226
N'-butyl-N'-propylpropane-1,3-diamine;N,N,2-trimethylpropan-1-amine
CID 164906965
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine (CID 62264489) is N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine is CCCC(C)CN(CCCN)CC(C)C.
What is the InChIKey of N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is KVEOGRKSLLYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-7-13(4)11-15(9-6-8-14)10-12(2)3/h12-13H,5-11,14H2,1-4H3.
What are the key properties of N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine?
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-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'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62264489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).