1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine

C10H29N7 — CID 87650281

IUPAC1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine
SMILESCCC(NC(CC)N(NC)NC)N(NC)NC
InChIInChI=1S/C10H29N7/c1-7-9(16(11-3)12-4)15-10(8-2)17(13-5)14-6/h9-15H,7-8H2,1-6H3
InChIKeyJVMBOXWCOVXFSL-UHFFFAOYSA-N
MW247.39 g/mol
LogP-0.81
Rot. Bonds10

About 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine

1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine (PubChem CID 87650281) has the molecular formula C10H29N7 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine.

Molecular Properties

Compound Name1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine
PubChem CID87650281
Molecular FormulaC10H29N7
Molecular Weight247.39 g/mol
Exact Mass247.25
IUPAC Name1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine
SMILESCCC(NC(CC)N(NC)NC)N(NC)NC
InChIInChI=1S/C10H29N7/c1-7-9(16(11-3)12-4)15-10(8-2)17(13-5)14-6/h9-15H,7-8H2,1-6H3
InChIKeyJVMBOXWCOVXFSL-UHFFFAOYSA-N
XLogP-0.81
TPSA66.63 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 54118560
Diazene, [1-(2,2-dipropylhydrazino)propyl]propyl-
CID 593764
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CID 76763916
1-N,2-N-dipropylpiperazine-1,2-diamine
CID 22079474
1-N,1-N',2-N-trimethyl-1-[methylamino(propyl)amino]propane-1,1,2-triamine
CID 53976648
N-butyl-N',N'-diethyl-1-hydrazinylbutane-1,4-diamine
CID 57031321
1,3,6,9-Tetrazacyclododecan-1-amine
CID 57041042
2-[Amino(1-hydrazinylpropyl)amino]ethanamine
CID 57162875
8-Propyl-1,2,7,9-tetrazacyclotridecane-3,6-diamine;dihydrochloride
CID 66995276
1-[Amino(propyl)amino]propane-1,1-diamine
CID 87824780
1-(2,2-dimethylhydrazinyl)-N-propylpropan-1-amine
CID 87963963
1-N',1-N'-diethyl-1-N-methylpropane-1,1-diamine;1-methyl-2-propylhydrazine
CID 88031006

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
The IUPAC name of 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine (CID 87650281) is 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine.
What is the SMILES notation for 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
The canonical SMILES for 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine is CCC(NC(CC)N(NC)NC)N(NC)NC.
What is the InChIKey of 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
The InChIKey is JVMBOXWCOVXFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H29N7/c1-7-9(16(11-3)12-4)15-10(8-2)17(13-5)14-6/h9-15H,7-8H2,1-6H3.
What are the key properties of 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine has a molecular weight of 247.39 g/mol, XLogP of -0.81, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[bis(methylamino)amino]propyl]-1-N',1-N'-bis(methylamino)propane-1,1-diamine is sourced from PubChem (CID 87650281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).