N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine

C8H22N4 — CID 22075501

IUPACN,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
SMILESCC(CNCCN)CNCCN
InChIInChI=1S/C8H22N4/c1-8(6-11-4-2-9)7-12-5-3-10/h8,11-12H,2-7,9-10H2,1H3
InChIKeyPNMDNYHGMKZONJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP-1.28
Rot. Bonds8

About N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine

N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine (PubChem CID 22075501) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
PubChem CID22075501
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC NameN,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
SMILESCC(CNCCN)CNCCN
InChIInChI=1S/C8H22N4/c1-8(6-11-4-2-9)7-12-5-3-10/h8,11-12H,2-7,9-10H2,1H3
InChIKeyPNMDNYHGMKZONJ-UHFFFAOYSA-N
XLogP-1.28
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
N'-(2,4,4,6,6-pentamethylheptyl)ethane-1,2-diamine
CID 59969220
N'-[(2R)-3-[dimethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 99771056
N'-[3-[methoxy(dimethyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 53421710
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
N'-[3-[diethoxy(methyl)silyl]-2-methylpropyl]ethane-1,2-diamine
CID 56649462
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine (CID 22075501) is N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine is CC(CNCCN)CNCCN.
What is the InChIKey of N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine?
The InChIKey is PNMDNYHGMKZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-8(6-11-4-2-9)7-12-5-3-10/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine?
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine has a molecular weight of 174.29 g/mol, XLogP of -1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 22075501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).