N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine

C13H26N2 — CID 65481324

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine
SMILESCCCCN(CC1(CCN)CC1)C1CC1
InChIInChI=1S/C13H26N2/c1-2-3-10-15(12-4-5-12)11-13(6-7-13)8-9-14/h12H,2-11,14H2,1H3
InChIKeyOKMSDMNSSITIOJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds8

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine (PubChem CID 65481324) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine
PubChem CID65481324
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine
SMILESCCCCN(CC1(CCN)CC1)C1CC1
InChIInChI=1S/C13H26N2/c1-2-3-10-15(12-4-5-12)11-13(6-7-13)8-9-14/h12H,2-11,14H2,1H3
InChIKeyOKMSDMNSSITIOJ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine (CID 65481324) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine is CCCCN(CC1(CCN)CC1)C1CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine?
The InChIKey is OKMSDMNSSITIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-3-10-15(12-4-5-12)11-13(6-7-13)8-9-14/h12H,2-11,14H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-butylcyclopropanamine is sourced from PubChem (CID 65481324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).