4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline

C16H26N2 — CID 63816141

IUPAC4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CC(C)N)cc1
InChIInChI=1S/C16H26N2/c1-3-10-18(12-15-4-5-15)16-8-6-14(7-9-16)11-13(2)17/h6-9,13,15H,3-5,10-12,17H2,1-2H3
InChIKeyUHRQABGGRMCDLK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds7

About 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline

4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline (PubChem CID 63816141) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
PubChem CID63816141
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CC(C)N)cc1
InChIInChI=1S/C16H26N2/c1-3-10-18(12-15-4-5-15)16-8-6-14(7-9-16)11-13(2)17/h6-9,13,15H,3-5,10-12,17H2,1-2H3
InChIKeyUHRQABGGRMCDLK-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline (CID 63816141) is 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline is CCCN(CC1CC1)c1ccc(CC(C)N)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline?
The InChIKey is UHRQABGGRMCDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-10-18(12-15-4-5-15)16-8-6-14(7-9-16)11-13(2)17/h6-9,13,15H,3-5,10-12,17H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline?
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-propylaniline is sourced from PubChem (CID 63816141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).