2-[(7-aminoheptylamino)methyl]propane-1,3-diamine

C11H28N4 — CID 159145188

IUPAC2-[(7-aminoheptylamino)methyl]propane-1,3-diamine
SMILESNCCCCCCCNCC(CN)CN
InChIInChI=1S/C11H28N4/c12-6-4-2-1-3-5-7-15-10-11(8-13)9-14/h11,15H,1-10,12-14H2
InChIKeyQBTMIDZTXAWJET-UHFFFAOYSA-N
MW216.37 g/mol
LogP0.02
Rot. Bonds11

About 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine

2-[(7-aminoheptylamino)methyl]propane-1,3-diamine (PubChem CID 159145188) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[(7-aminoheptylamino)methyl]propane-1,3-diamine
PubChem CID159145188
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name2-[(7-aminoheptylamino)methyl]propane-1,3-diamine
SMILESNCCCCCCCNCC(CN)CN
InChIInChI=1S/C11H28N4/c12-6-4-2-1-3-5-7-15-10-11(8-13)9-14/h11,15H,1-10,12-14H2
InChIKeyQBTMIDZTXAWJET-UHFFFAOYSA-N
XLogP0.02
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 50.02
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

N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N,N'-bis(4-aminobutyl)-2-(6-ethoxyhexyl)propane-1,3-diamine
CID 21130743
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
N'-(7-methyloctyl)-2-propylpropane-1,3-diamine
CID 107815762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[(4-aminobutylamino)methyl]butane-1,4-diamine
CID 166675657
5-[4-(tridecylamino)butyl]undecane-1,11-diamine
CID 139942223
(2R,3S)-1-amino-4-(3-aminopropylamino)butane-2,3-diol
CID 11066068

Frequently Asked Questions

What is the IUPAC name of 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine?
The IUPAC name of 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine (CID 159145188) is 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine?
The canonical SMILES for 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine is NCCCCCCCNCC(CN)CN.
What is the InChIKey of 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine?
The InChIKey is QBTMIDZTXAWJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c12-6-4-2-1-3-5-7-15-10-11(8-13)9-14/h11,15H,1-10,12-14H2.
What are the key properties of 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine?
2-[(7-aminoheptylamino)methyl]propane-1,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 0.02, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-aminoheptylamino)methyl]propane-1,3-diamine is sourced from PubChem (CID 159145188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).