4-butan-2-yl-N-(dicyclopropylmethyl)aniline

C17H25N — CID 43681135

IUPAC4-butan-2-yl-N-(dicyclopropylmethyl)aniline
SMILESCCC(C)c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H25N/c1-3-12(2)13-8-10-16(11-9-13)18-17(14-4-5-14)15-6-7-15/h8-12,14-15,17-18H,3-7H2,1-2H3
InChIKeySEHBFPFOQZXACT-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.80
Rot. Bonds6

About 4-butan-2-yl-N-(dicyclopropylmethyl)aniline

4-butan-2-yl-N-(dicyclopropylmethyl)aniline (PubChem CID 43681135) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-butan-2-yl-N-(dicyclopropylmethyl)aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-(dicyclopropylmethyl)aniline
PubChem CID43681135
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-butan-2-yl-N-(dicyclopropylmethyl)aniline
SMILESCCC(C)c1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H25N/c1-3-12(2)13-8-10-16(11-9-13)18-17(14-4-5-14)15-6-7-15/h8-12,14-15,17-18H,3-7H2,1-2H3
InChIKeySEHBFPFOQZXACT-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
4-butan-2-yl-N-cyclopentylaniline
CID 43681058
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
4-butan-2-yl-N-methylaniline
CID 22675641
4-butyl-N-(dicyclopropylmethyl)aniline
CID 43362849
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine
CID 115137874
4-butan-2-yl-N-hexan-2-ylaniline
CID 43780445
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
CID 43742541
4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655648
[(4-butan-2-ylphenyl)-chloromethyl]cyclooctane
CID 65023335

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(dicyclopropylmethyl)aniline?
The IUPAC name of 4-butan-2-yl-N-(dicyclopropylmethyl)aniline (CID 43681135) is 4-butan-2-yl-N-(dicyclopropylmethyl)aniline.
What is the SMILES notation for 4-butan-2-yl-N-(dicyclopropylmethyl)aniline?
The canonical SMILES for 4-butan-2-yl-N-(dicyclopropylmethyl)aniline is CCC(C)c1ccc(NC(C2CC2)C2CC2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(dicyclopropylmethyl)aniline?
The InChIKey is SEHBFPFOQZXACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-12(2)13-8-10-16(11-9-13)18-17(14-4-5-14)15-6-7-15/h8-12,14-15,17-18H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-yl-N-(dicyclopropylmethyl)aniline?
4-butan-2-yl-N-(dicyclopropylmethyl)aniline has a molecular weight of 243.39 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(dicyclopropylmethyl)aniline is sourced from PubChem (CID 43681135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).