N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine

C13H28N2 — CID 107001512

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCC1CC1(C)C
InChIInChI=1S/C13H28N2/c1-5-15(6-2)9-7-8-14-11-12-10-13(12,3)4/h12,14H,5-11H2,1-4H3
InChIKeyJLHQKUPCEVUXOF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds8

About N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine

N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 107001512) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID107001512
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCC1CC1(C)C
InChIInChI=1S/C13H28N2/c1-5-15(6-2)9-7-8-14-11-12-10-13(12,3)4/h12,14H,5-11H2,1-4H3
InChIKeyJLHQKUPCEVUXOF-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2,2-dimethylcyclopropyl)methyl]-N-propylpropane-1,3-diamine
CID 107001505
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 107001471
N-(cyclohexylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 17215343
N-(cyclopropylmethyl)-N',N'-diethylbutane-1,4-diamine
CID 83960498
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
N-(2,2-dimethylcyclohexyl)-N',N'-diethylpropane-1,3-diamine
CID 79828517
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine
CID 60669420
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine (CID 107001512) is N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCC1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is JLHQKUPCEVUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-15(6-2)9-7-8-14-11-12-10-13(12,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine?
N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 107001512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).