N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine

C13H28N4 — CID 151582722

IUPACN'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine
SMILESCC1CC1NN(CCCCCN)NC1(C)CC1
InChIInChI=1S/C13H28N4/c1-11-10-12(11)15-17(9-5-3-4-8-14)16-13(2)6-7-13/h11-12,15-16H,3-10,14H2,1-2H3
InChIKeyQGVJTUPTMZGMEE-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.39
Rot. Bonds9

About N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine

N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine (PubChem CID 151582722) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine
PubChem CID151582722
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine
SMILESCC1CC1NN(CCCCCN)NC1(C)CC1
InChIInChI=1S/C13H28N4/c1-11-10-12(11)15-17(9-5-3-4-8-14)16-13(2)6-7-13/h11-12,15-16H,3-10,14H2,1-2H3
InChIKeyQGVJTUPTMZGMEE-UHFFFAOYSA-N
XLogP1.39
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine?
The IUPAC name of N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine (CID 151582722) is N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine.
What is the SMILES notation for N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine?
The canonical SMILES for N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine is CC1CC1NN(CCCCCN)NC1(C)CC1.
What is the InChIKey of N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine?
The InChIKey is QGVJTUPTMZGMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11-10-12(11)15-17(9-5-3-4-8-14)16-13(2)6-7-13/h11-12,15-16H,3-10,14H2,1-2H3.
What are the key properties of N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine?
N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylcyclopropyl)amino]-N'-[(2-methylcyclopropyl)amino]pentane-1,5-diamine is sourced from PubChem (CID 151582722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).