N'-[(2S)-2-methylpentyl]ethane-1,2-diamine

C8H20N2 — CID 122599067

IUPACN'-[(2S)-2-methylpentyl]ethane-1,2-diamine
SMILESCCC[C@H](C)CNCCN
InChIInChI=1S/C8H20N2/c1-3-4-8(2)7-10-6-5-9/h8,10H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyQWYFWOFCVUCGQB-QMMMGPOBSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds6

About N'-[(2S)-2-methylpentyl]ethane-1,2-diamine

N'-[(2S)-2-methylpentyl]ethane-1,2-diamine (PubChem CID 122599067) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N'-[(2S)-2-methylpentyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2S)-2-methylpentyl]ethane-1,2-diamine
PubChem CID122599067
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN'-[(2S)-2-methylpentyl]ethane-1,2-diamine
SMILESCCC[C@H](C)CNCCN
InChIInChI=1S/C8H20N2/c1-3-4-8(2)7-10-6-5-9/h8,10H,3-7,9H2,1-2H3/t8-/m0/s1
InChIKeyQWYFWOFCVUCGQB-QMMMGPOBSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
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,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
N-(3-iodopropyl)-2-methylpentan-1-amine
CID 114503597
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
2-(2-methylpentylamino)ethanesulfonamide
CID 43551734
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797
N-butyl-N'-(2,4-dimethylheptyl)propane-1,3-diamine
CID 146252280
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-methylpentyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2S)-2-methylpentyl]ethane-1,2-diamine (CID 122599067) is N'-[(2S)-2-methylpentyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2S)-2-methylpentyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2S)-2-methylpentyl]ethane-1,2-diamine is CCC[C@H](C)CNCCN.
What is the InChIKey of N'-[(2S)-2-methylpentyl]ethane-1,2-diamine?
The InChIKey is QWYFWOFCVUCGQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-4-8(2)7-10-6-5-9/h8,10H,3-7,9H2,1-2H3/t8-/m0/s1.
What are the key properties of N'-[(2S)-2-methylpentyl]ethane-1,2-diamine?
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-methylpentyl]ethane-1,2-diamine is sourced from PubChem (CID 122599067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).