4-(1-aminocyclopropyl)-N,N-diethylaniline

C13H20N2 — CID 82609357

IUPAC4-(1-aminocyclopropyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2(N)CC2)cc1
InChIInChI=1S/C13H20N2/c1-3-15(4-2)12-7-5-11(6-8-12)13(14)9-10-13/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyGUEWAMPVRQJPRM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.48
Rot. Bonds4

About 4-(1-aminocyclopropyl)-N,N-diethylaniline

4-(1-aminocyclopropyl)-N,N-diethylaniline (PubChem CID 82609357) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-N,N-diethylaniline
PubChem CID82609357
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(1-aminocyclopropyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2(N)CC2)cc1
InChIInChI=1S/C13H20N2/c1-3-15(4-2)12-7-5-11(6-8-12)13(14)9-10-13/h5-8H,3-4,9-10,14H2,1-2H3
InChIKeyGUEWAMPVRQJPRM-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
4-(1-aminocyclopropyl)-N-methylaniline
CID 55297105
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117440769
1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
CID 118201166
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
CID 117112388
4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
1-[[4-(diethylamino)phenyl]methyl]cyclopropan-1-ol
CID 117313196

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-N,N-diethylaniline?
The IUPAC name of 4-(1-aminocyclopropyl)-N,N-diethylaniline (CID 82609357) is 4-(1-aminocyclopropyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(1-aminocyclopropyl)-N,N-diethylaniline?
The canonical SMILES for 4-(1-aminocyclopropyl)-N,N-diethylaniline is CCN(CC)c1ccc(C2(N)CC2)cc1.
What is the InChIKey of 4-(1-aminocyclopropyl)-N,N-diethylaniline?
The InChIKey is GUEWAMPVRQJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15(4-2)12-7-5-11(6-8-12)13(14)9-10-13/h5-8H,3-4,9-10,14H2,1-2H3.
What are the key properties of 4-(1-aminocyclopropyl)-N,N-diethylaniline?
4-(1-aminocyclopropyl)-N,N-diethylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-N,N-diethylaniline is sourced from PubChem (CID 82609357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).