4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline

C17H26N2 — CID 112558083

IUPAC4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline
SMILESCCCCN(CC1(c2ccc(N)cc2)CC1)C1CC1
InChIInChI=1S/C17H26N2/c1-2-3-12-19(16-8-9-16)13-17(10-11-17)14-4-6-15(18)7-5-14/h4-7,16H,2-3,8-13,18H2,1H3
InChIKeyMPIOAVGLKYVKIH-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.56
Rot. Bonds7

About 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline

4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline (PubChem CID 112558083) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline
PubChem CID112558083
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline
SMILESCCCCN(CC1(c2ccc(N)cc2)CC1)C1CC1
InChIInChI=1S/C17H26N2/c1-2-3-12-19(16-8-9-16)13-17(10-11-17)14-4-6-15(18)7-5-14/h4-7,16H,2-3,8-13,18H2,1H3
InChIKeyMPIOAVGLKYVKIH-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
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-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline (CID 112558083) is 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline is CCCCN(CC1(c2ccc(N)cc2)CC1)C1CC1.
What is the InChIKey of 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline?
The InChIKey is MPIOAVGLKYVKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-3-12-19(16-8-9-16)13-17(10-11-17)14-4-6-15(18)7-5-14/h4-7,16H,2-3,8-13,18H2,1H3.
What are the key properties of 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline?
4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline has a molecular weight of 258.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[butyl(cyclopropyl)amino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 112558083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).