4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline

C16H26N2 — CID 114111283

IUPAC4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline
SMILESCCCC1CC1NCC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2/c1-4-5-12-10-15(12)18-11-16(2,3)13-6-8-14(17)9-7-13/h6-9,12,15,18H,4-5,10-11,17H2,1-3H3
InChIKeyKFVSTQQPMPTYAB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.32
Rot. Bonds6

About 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline

4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline (PubChem CID 114111283) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline.

Molecular Properties

Compound Name4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline
PubChem CID114111283
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline
SMILESCCCC1CC1NCC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2/c1-4-5-12-10-15(12)18-11-16(2,3)13-6-8-14(17)9-7-13/h6-9,12,15,18H,4-5,10-11,17H2,1-3H3
InChIKeyKFVSTQQPMPTYAB-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline?
The IUPAC name of 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline (CID 114111283) is 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline.
What is the SMILES notation for 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline?
The canonical SMILES for 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline is CCCC1CC1NCC(C)(C)c1ccc(N)cc1.
What is the InChIKey of 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline?
The InChIKey is KFVSTQQPMPTYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-5-12-10-15(12)18-11-16(2,3)13-6-8-14(17)9-7-13/h6-9,12,15,18H,4-5,10-11,17H2,1-3H3.
What are the key properties of 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline?
4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[(2-propylcyclopropyl)amino]propan-2-yl]aniline is sourced from PubChem (CID 114111283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).