N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine

C12H25N7 — CID 11161484

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1=NCCN1)CCNC1=NCCN1
InChIInChI=1S/C12H25N7/c1-19(10-8-18-12-16-6-7-17-12)9-2-3-13-11-14-4-5-15-11/h2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
InChIKeyMDJSCKQWMQVPOD-UHFFFAOYSA-N
MW267.38 g/mol
LogP-1.59
Rot. Bonds7

About N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine

N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine (PubChem CID 11161484) has the molecular formula C12H25N7 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine
PubChem CID11161484
Molecular FormulaC12H25N7
Molecular Weight267.38 g/mol
Exact Mass267.22
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNC1=NCCN1)CCNC1=NCCN1
InChIInChI=1S/C12H25N7/c1-19(10-8-18-12-16-6-7-17-12)9-2-3-13-11-14-4-5-15-11/h2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
InChIKeyMDJSCKQWMQVPOD-UHFFFAOYSA-N
XLogP-1.59
TPSA76.08 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine (CID 11161484) is N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine is CN(CCCNC1=NCCN1)CCNC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine?
The InChIKey is MDJSCKQWMQVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N7/c1-19(10-8-18-12-16-6-7-17-12)9-2-3-13-11-14-4-5-15-11/h2-10H2,1H3,(H2,13,14,15)(H2,16,17,18).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine?
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine has a molecular weight of 267.38 g/mol, XLogP of -1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[2-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 11161484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).