N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine

C12H30N4 — CID 142765036

IUPACN-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine
SMILESCC(CCNCCCN)CNC(C)CCN
InChIInChI=1S/C12H30N4/c1-11(5-9-15-8-3-6-13)10-16-12(2)4-7-14/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyFKIVTLRMMWMLHR-UHFFFAOYSA-N
MW230.40 g/mol
LogP0.28
Rot. Bonds11

About N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine

N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine (PubChem CID 142765036) has the molecular formula C12H30N4 and a molecular weight of 230.40 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine
PubChem CID142765036
Molecular FormulaC12H30N4
Molecular Weight230.40 g/mol
Exact Mass230.25
IUPAC NameN-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine
SMILESCC(CCNCCCN)CNC(C)CCN
InChIInChI=1S/C12H30N4/c1-11(5-9-15-8-3-6-13)10-16-12(2)4-7-14/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyFKIVTLRMMWMLHR-UHFFFAOYSA-N
XLogP0.28
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 50.28
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

(3R)-N'-(3-aminopropyl)-2,3,6-trimethyloctane-1,8-diamine
CID 177154486
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;vanadium
CID 161302132
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine
CID 154520906
3-N-ethyl-1-N-[4-[3-(ethylamino)butylamino]butyl]butane-1,3-diamine;tetrahydrochloride
CID 10181201
3-N-[2-(methylamino)ethyl]butane-1,3-diamine
CID 90769652
N-[2-(2-aminoethylamino)ethyl]-N',6-bis[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-3,9-dimethylundecane-1,11-diamine
CID 138745195

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine (CID 142765036) is N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine is CC(CCNCCCN)CNC(C)CCN.
What is the InChIKey of N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine?
The InChIKey is FKIVTLRMMWMLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4/c1-11(5-9-15-8-3-6-13)10-16-12(2)4-7-14/h11-12,15-16H,3-10,13-14H2,1-2H3.
What are the key properties of N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine?
N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 0.28, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 142765036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).