N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine

C13H28N2 — CID 62263671

IUPACN-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CNCC)C1CC1
InChIInChI=1S/C13H28N2/c1-5-9-15(12-7-8-12)11-13(3,4)10-14-6-2/h12,14H,5-11H2,1-4H3
InChIKeyXKKVXEAZYMRFSC-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds8

About N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine

N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine (PubChem CID 62263671) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
PubChem CID62263671
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CNCC)C1CC1
InChIInChI=1S/C13H28N2/c1-5-9-15(12-7-8-12)11-13(3,4)10-14-6-2/h12,14H,5-11H2,1-4H3
InChIKeyXKKVXEAZYMRFSC-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine (CID 62263671) is N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine is CCCN(CC(C)(C)CNCC)C1CC1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine?
The InChIKey is XKKVXEAZYMRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-9-15(12-7-8-12)11-13(3,4)10-14-6-2/h12,14H,5-11H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine?
N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 62263671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).