N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine

C11H24N4 — CID 142526209

IUPACN'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine
SMILESC=C1NCCCN1CCCNCCCN
InChIInChI=1S/C11H24N4/c1-11-14-8-4-10-15(11)9-3-7-13-6-2-5-12/h13-14H,1-10,12H2
InChIKeyPTOKDZCKIMKLGC-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.08
Rot. Bonds7

About N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine

N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine (PubChem CID 142526209) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine
PubChem CID142526209
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC NameN'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine
SMILESC=C1NCCCN1CCCNCCCN
InChIInChI=1S/C11H24N4/c1-11-14-8-4-10-15(11)9-3-7-13-6-2-5-12/h13-14H,1-10,12H2
InChIKeyPTOKDZCKIMKLGC-UHFFFAOYSA-N
XLogP0.08
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
1-[3-(2-hydroxypropylamino)propyl]-1,3-diazinan-2-one
CID 18340100
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-[4-(1,5,9-triazacyclododec-1-yl)butyl]butane-1,4-diamine
CID 166625566
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1-(2-aminoethyl)imidazolidin-2-one;1-(5-aminopentyl)imidazolidin-2-one;1,3-bis(2-aminoethyl)imidazolidin-2-one;ethane-1,2-diamine;imidazolidin-2-one;1-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-2-one;pentane-1,5-diamine
CID 161181882
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N'-[3-[(11Z)-1-azacyclooctadec-11-en-1-yl]propyl]propane-1,3-diamine
CID 10981385
N-(3-aminopropyl)-N'-[3-(diazetidin-1-ylamino)propyl]butane-1,4-diamine
CID 141106703
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine (CID 142526209) is N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine is C=C1NCCCN1CCCNCCCN.
What is the InChIKey of N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine?
The InChIKey is PTOKDZCKIMKLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-11-14-8-4-10-15(11)9-3-7-13-6-2-5-12/h13-14H,1-10,12H2.
What are the key properties of N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine?
N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine has a molecular weight of 212.34 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methylidene-1,3-diazinan-1-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 142526209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).