N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine

C10H25N3 — CID 62923464

IUPACN'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
SMILESCCCC(C)CN(CCN)CCN
InChIInChI=1S/C10H25N3/c1-3-4-10(2)9-13(7-5-11)8-6-12/h10H,3-9,11-12H2,1-2H3
InChIKeyXDKOJPWMYDWBGR-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.64
Rot. Bonds8

About N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine (PubChem CID 62923464) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
PubChem CID62923464
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC NameN'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
SMILESCCCC(C)CN(CCN)CCN
InChIInChI=1S/C10H25N3/c1-3-4-10(2)9-13(7-5-11)8-6-12/h10H,3-9,11-12H2,1-2H3
InChIKeyXDKOJPWMYDWBGR-UHFFFAOYSA-N
XLogP0.64
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
CID 129302821
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
2-[butyl(2-methylpentyl)amino]ethanol
CID 62266090
N-butyl-N-ethyl-2-methylpentane-1,5-diamine
CID 104681772
N'-(2,2-difluoroethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 107494500
N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
CID 23198614
4-(dipropylamino)-3-methylbutane-1-thiol
CID 23362434
N,2-dimethyl-N-pentan-2-ylbutane-1,4-diamine
CID 80544220
2-N,2-dimethyl-2-N-(2-methylpentyl)propane-1,2-diamine
CID 62264836
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004
2,5-dimethyl-7-propan-2-yl-N,N,6-tripropyldecan-1-amine
CID 123419359
4-methylheptan-1-amine
CID 18618988

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine (CID 62923464) is N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine is CCCC(C)CN(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine?
The InChIKey is XDKOJPWMYDWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-3-4-10(2)9-13(7-5-11)8-6-12/h10H,3-9,11-12H2,1-2H3.
What are the key properties of N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 62923464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).