1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine

C6H18N4 — CID 175151430

IUPAC1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine
SMILESCCC(NC)N(NC)NC
InChIInChI=1S/C6H18N4/c1-5-6(7-2)10(8-3)9-4/h6-9H,5H2,1-4H3
InChIKeyQHIUBXIDOKLENJ-UHFFFAOYSA-N
MW146.24 g/mol
LogP-0.49
Rot. Bonds5

About 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine

1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine (PubChem CID 175151430) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine
PubChem CID175151430
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine
SMILESCCC(NC)N(NC)NC
InChIInChI=1S/C6H18N4/c1-5-6(7-2)10(8-3)9-4/h6-9H,5H2,1-4H3
InChIKeyQHIUBXIDOKLENJ-UHFFFAOYSA-N
XLogP-0.49
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-N'-ethyl-1-N,1-N'-dimethylpropane-1,1-diamine
CID 123725071
N',N'-bis[1-(methylamino)propyl]octane-1,8-diamine;tetrahydrochloride
CID 19030158
1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine
CID 175965155
4-ethyl-N-methylhexan-3-amine
CID 79307570
1-N',1-N'-dimethyl-1-N-propylpropane-1,1-diamine
CID 87287552
1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine
CID 118974928
N-methyl-1-[2-(methylamino)butoxy]butan-2-amine
CID 90079765
(Z)-N-methylhex-4-en-3-amine
CID 143219516
1,3-bis[1-(dimethylamino)propyl]urea;dihydrochloride
CID 23325980
1-(methylamino)propane-1-thiol;hydrochloride
CID 174383519
2-methyl-N,N-bis(methylamino)butan-1-amine
CID 139482995
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine (CID 175151430) is 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine is CCC(NC)N(NC)NC.
What is the InChIKey of 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
The InChIKey is QHIUBXIDOKLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-5-6(7-2)10(8-3)9-4/h6-9H,5H2,1-4H3.
What are the key properties of 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine?
1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine has a molecular weight of 146.24 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N',1-N'-bis(methylamino)propane-1,1-diamine is sourced from PubChem (CID 175151430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).